SCHEMBL7554763

SCHEMBL7554763

NC(=O)C(O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
ALOX5 P09917 1/20 0.58
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
AKR1C3 P42330 1/20 0.50
F10 P00742 1/20 0.50
PARP10 Q53GL7 2/20 0.47
TNKS O95271 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
MAOB P27338 1/20 0.46
SRD5A2 P31213 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NPY5R Q15761 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10831106 1.00 PTGS1 (0.59) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL8959967 1.00 PTGS1 (0.59) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL10831356 0.86 PTGS1 (0.68) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL10831605 0.86 PTGS1 (0.68) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL5494789 0.86 PTGS1 (0.68) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL27854366 0.83 PTGS1 (0.59) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL7040469 0.82 PTGS1 (0.77) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL7032448 0.82 PTGS1 (0.77) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL5527572 0.81 L3MBTL1 (0.65) F10ALDH1A1L3MBTL1
SCHEMBL10831167 0.81 PTGS1 (0.60) PTGS1ALOX5MEN1CYP2D6KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4607119-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-19 US claimed
EP-0946495-B1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-0569461-B1 NOVEL PYRETHROID COMPOSITION FMC CORP (US) 1996-01-24 EP disclosed
EP-0569461-A1 NOVEL PYRETHROID COMPOSITION. FMC CORP (US) 1993-11-18 EP disclosed
EP-0569461-A4 NOVEL PYRETHROID COMPOSITION. FMC CORP (US) 1993-09-07 EP disclosed
US-5164411-A Mixture of cypermethrin isomers FMC CORPORATION (US) 1992-11-17 US disclosed
WO-1992012634-A1 NOVEL PYRETHROID COMPOSITION FMC CORPORATION (US) 1992-08-06 WO disclosed
US-4970330-A INSECTICIDES, PESTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-13 US disclosed
US-4607119-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-19 US disclosed
US-4391983-A Carboxamidoesters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-05 US disclosed
US-4378316-A INTERMEDIATES FOR CYCLOPROPANE-CARBOXYLIC ESTERS; INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-03-29 US disclosed
US-4330675-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-05-18 US disclosed
US-4183948-A INSECTICIDE SYNERGIST IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-01-15 US disclosed
US-4146554-A BY DEHYDRATION OF CORRESPONDING AMIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-03-27 US disclosed