SCHEMBL31723117

SCHEMBL31723117

COc1cccc2c(=O)c(C(=O)O)c(-c3ccc(Cl)cc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
MAOA P21397 8/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL20919365 1.00 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1MAOAALDH1A1
SCHEMBL31723145 0.86 ABCG2 (0.55) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL22284782 0.86 ABCG2 (0.55) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL28429215 0.84 MEN1 (0.49) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL20918077 0.82 ALDH1A1 (0.52) CYP1A1CYP1A2CYP1B1MAOAALDH1A1
SCHEMBL31723146 0.82 ALDH1A1 (0.52) CYP1A1CYP1A2CYP1B1MAOAALDH1A1
SCHEMBL20918152 0.79 MAOA (0.47) CYP1A1CYP1A2CYP1B1MAOAALDH1A1
SCHEMBL31723110 0.79 MAOA (0.47) CYP1A1CYP1A2CYP1B1MAOAALDH1A1
SCHEMBL20918189 0.78 MAOA (0.46) CYP1A1CYP1A2CYP1B1MAOAALDH1A1
SCHEMBL31723179 0.78 MAOA (0.46) CYP1A1CYP1A2CYP1B1MAOAALDH1A1

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-3699174-B1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2025-11-12 EP claimed