SCHEMBL9014614

SCHEMBL9014614

C#C[CH]c1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
MAOB P27338 1/20 0.46
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
ALOX5 P09917 3/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.44
ATM Q13315 1/20 0.43
EPOR P19235 2/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C3 P42330 1/20 0.42
ALOX5AP P20292 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10546939 0.86 MAPT (0.44) TLR4TLR2MAOBTSHRALOX5
SCHEMBL10551649 0.86 NPSR1 (0.40) TLR4TLR2MAOBALOX5PTGS1
SCHEMBL10549579 0.86 RELA (0.51) MAOBLTA4HALDH1A1SMN1; SMN2NPC1
SCHEMBL10547227 0.86 ALDH1A1 (0.51) TLR4TLR2MAOBALOX5LMNA
SCHEMBL10549833 0.86 ADAMTS5 (0.46) TLR4TLR2MAOBALOX5PTGS1
SCHEMBL10548216 0.84 TERT (0.44) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL10544104 0.84 NFE2L2 (0.46) TLR4TLR2MAOBPTGS1PTGS2
SCHEMBL10548405 0.82 LTA4H (0.53) MAOBLTA4HLMNAALDH1A1SMN1; SMN2
SCHEMBL10973887 0.82 LTA4H (0.50) TLR4TLR2LTA4HTSHRLMNA
SCHEMBL191668 0.81 ATM (0.50) TLR4TLR2MAOBLTA4HTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451873-B1 Derivatives of 2,2-dimethyl cyclopropanecarboxylic acid substituted at c-3 by a saturated halogenated chain, process for their preparation and their use in the synthesis of pesticidal products ROUSSEL UCLAF (FR) 1995-03-08 EP claimed
EP-0348254-B1 PROCESS FOR THE PREPARATION OF NORPYRETHROID COMPOUNDS ROUSSEL-UCLAF (FR) 1993-06-23 EP claimed
EP-0364326-B1 DERIVATIVES OF 2,2-DIMETHYL-3-(1-HYDROXY-2-SULFINOETHYL)-CYCLOPROPANE-CARBOXYLIC ACID, METHOD FOR THEIR PREPARATION, AND THEIR USE AS PESTICIDES ROUSSEL-UCLAF (FR) 1993-04-28 EP claimed
EP-0269514-B1 DERIVATIVES OF 2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID BEARING A SATURATED HALOGENATED CHAIN AT C-3, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-08-26 EP claimed
EP-0267105-B1 ETHYLENIC OXIME DERIVATIVES OF CYCLOPROPANECARBOXYLIC-ACID ESTERS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE IN COMBATTING PARASITES ROUSSEL-UCLAF (FR) 1992-08-12 EP claimed
US-5030655-A Insecticides, miticides ROUSSEL UCLAF (FR) 1991-07-09 US claimed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP claimed
US-4762835-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-09 US claimed
EP-0227415-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP claimed
EP-0105006-B1 ALLENIC CYCLOPROPANE CARBOXYLATES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PARASITICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-03-19 EP claimed
US-4440756-A Light-stable pesticidal compositions ROUSSEL UCLAF (FR) 1984-04-03 US claimed
EP-0022608-B1 PROCESS FOR THE PREPARATION OF CYCLOPROPANE CARBOXYLIC ACID ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-06 EP claimed
US-4374257-A Novel ethers containing a lactone group and a chiral atom ROUSSEL UCLAF (FR) 1983-02-15 US claimed
EP-0010859-B1 PROCESS FOR THE PREPARATION OF CYCLOPROPANE CARBOXYLIC ACID ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP claimed
US-4344894-A TRANSITION METAL COMPLEX OF SCHIFF BASES AS CATALYSTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-17 US claimed
EP-0051355-A1 An improved process for the preparation of certain cyclopropane pyrethroid intermediates having a high cis-content IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-05-12 EP claimed
EP-0002620-B1 CYCLOALKYL CARBOXYLIC ESTERS, INSECTICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR PREPARATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1981-11-25 EP claimed
EP-0023075-A1 Process for the preparation of cyclopropane carboxylic acid esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP claimed
EP-0022608-A1 Process for the preparation of cyclopropane carboxylic acid esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-21 EP claimed
EP-0010859-A1 Process for the preparation of cyclopropane carboxylic acid esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-05-14 EP claimed