SCHEMBL9577109

SCHEMBL9577109

N#CC(O)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.42
F10 P00742 4/20 0.42
TSHR P16473 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
MAP4K4 O95819 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SCN9A Q15858 3/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10457415 1.00 F2 (0.42) F2F10TSHRPRSS1PRSS2
SCHEMBL10456633 1.00 F2 (0.42) F2F10TSHRPRSS1PRSS2
SCHEMBL10706898 0.87 SCN9A (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL11463251 0.87 MEN1 (0.41) F2F10TSHRPRSS1PRSS2
SCHEMBL11362023 0.87 NPC1 (0.39) F2F10TSHRPRSS1PRSS2
SCHEMBL11377767 0.87 L3MBTL1 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL13726918 0.87 F2 (0.38) F2F10TSHRPRSS1PRSS2
SCHEMBL10548769 0.84 F2 (0.41) F2F10TSHRPRSS1PRSS2
SCHEMBL11174821 0.84 MAP4K4 (0.44) F2F10MAP4K4HSD17B14ALDH1A1
SCHEMBL11172123 0.84 KDM4E (0.42) F2F10TSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132392-B1 ASYMMETRIC SYNTHESIS OF ALPHA-SUBSTITUTED-ALPHA-CYANOMETHYL ALCOHOLS ICI AUSTRALIA LIMITED (AU) 1992-01-02 EP claimed
EP-0082049-B1 ETHERS WITH CHIRAL ATOMS IN THE ORGANIC REST GROUPS, THEIR PREPARATION, THEIR USE IN THE RESOLUTION OF ALCOHOLS OR OF CERTAIN HEMIACETALS, AND COMPOUNDS SO RESOLVED ROUSSEL-UCLAF (FR) 1987-07-29 EP claimed
US-4661488-A Pyrimidine substituted-2,2-dimethylcyclopropane carboxylates useful for combating insect and acarine pests at a locus IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-28 US claimed
US-4582856-A INSECXTICIDE, ACARICIDE BAYER AKTIENGESELLSCHAFT (DE) 1986-04-15 US claimed
EP-0162538-A2 Cyclopropane derivates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-27 EP claimed
US-4256893-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1981-03-17 US claimed
US-5245073-A Pesticides, insecticides, hydrogenation ROUSSEL UCLAF (FR) 1993-09-14 US disclosed
US-5082832-A Pesticides ROUSSEL UCLAF (FR) 1992-01-21 US disclosed
US-5049585-A Certain 3,3-bis-(difluoro methyl)2,2-dimethyl-cyclopropane carboxylates having insecticidal activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed
US-4935532-A Hemiacetals ROUSSEL UCLAF (FR) 1990-06-19 US disclosed
US-4925874-A INSECTICIDES ROUSSEL UCLAF (FR) 1990-05-15 US disclosed
EP-0364116-A1 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-18 EP disclosed
US-4898968-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-06 US disclosed
US-4238614-A Pyridyl esters of ether and thioether substituted cyclopropanecarboxylic acids ZOECON CORPORATION (US) 1980-12-09 US disclosed
US-4228172-A Substituted pyridine methyl esters of 2-isopropyl-2-(4-chlorophenyl)acetic acid and their use as insecticides THE DOW CHEMICAL COMPANY (US) 1980-10-14 US disclosed
US-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 US disclosed
US-4224330-A Esters and thiolesters of benzothienyl acids ZOECON CORPORATION (US) 1980-09-23 US disclosed
US-4223033-A Substituted pyridine methyl esters of naphthyl acids ZOECON CORPORATION (US) 1980-09-16 US disclosed
US-4221799-A MITICIDES THE DOW CHEMICAL (US) 1980-09-09 US disclosed
US-4163787-A Substituted pyridine methyl esters of cyclopropane carboxylic acids and their use as insecticides THE DOW CHEMICAL COMPANY (US) 1979-08-07 US disclosed