SCHEMBL6963260

SCHEMBL6963260

COc1cccc(OC([O])=O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.54
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX5 P09917 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
MAPT P10636 1/20 0.44
PRMT1 Q99873 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL2160010 0.86 NFE2L2 (0.56) NFE2L2HPGDKDM4ELMNACA12
SCHEMBL3327023 0.84 MAPK1 (0.58) NFE2L2HPGDKDM4ELMNACA12
SCHEMBL2160012 0.84 NFE2L2 (0.54) NFE2L2HPGDKDM4ELMNACA12
SCHEMBL3624482 0.82 NFE2L2 (0.53) NFE2L2HPGDKDM4ELMNACA12
SCHEMBL474081 0.81 CA1 (0.59) LMNACA12CA1CA2CA7
SCHEMBL25434306 0.80 CA1 (0.61) NFE2L2HPGDKDM4ELMNACA12
SCHEMBL151213 0.80 CA1 (0.61) NFE2L2HPGDKDM4ELMNACA12
SCHEMBL27753904 0.80 CA1 (0.61) NFE2L2HPGDKDM4ELMNACA12
SCHEMBL14471561 0.79 NFE2L2 (0.51) NFE2L2HPGDKDM4ELMNACA12
Acetamide SCHEMBL9643066 0.79 NFE2L2 (0.53) NFE2L2HPGDKDM4ELMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed