SCHEMBL31723110

SCHEMBL31723110

COc1cccc2c(=O)c(C(=O)O)c(-c3ccco3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 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
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL20918152 1.00 MAOA (0.47) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL31723107 0.84 MCL1 (0.46) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL20918190 0.84 MCL1 (0.46) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL20919365 0.79 CYP1A1 (0.47) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL31723145 0.79 ABCG2 (0.55) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL22284782 0.79 ABCG2 (0.55) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL31723117 0.79 CYP1A1 (0.47) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL20918189 0.78 MAOA (0.46) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL20918077 0.78 ALDH1A1 (0.52) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL31723179 0.78 MAOA (0.46) MAOAALDH1A1KDM4ELMNANPC1

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