SCHEMBL31723179

SCHEMBL31723179

COc1cccc2c(=O)c(C(=O)O)c(-c3cccs3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL20918189 1.00 MAOA (0.46) MAOAKDM4ELMNANPC1RAB9A
SCHEMBL31723157 0.84 MCL1 (0.45) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL20919285 0.84 MCL1 (0.45) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL31723145 0.78 ABCG2 (0.55) MAOAKDM4ELMNANPC1RAB9A
SCHEMBL22284782 0.78 ABCG2 (0.55) MAOAKDM4ELMNANPC1RAB9A
SCHEMBL31723110 0.78 MAOA (0.47) MAOAKDM4ELMNANPC1RAB9A
SCHEMBL20918152 0.78 MAOA (0.47) MAOAKDM4ELMNANPC1RAB9A
SCHEMBL20919365 0.78 CYP1A1 (0.47) MAOAKDM4ELMNANPC1RAB9A
SCHEMBL31723117 0.78 CYP1A1 (0.47) MAOAKDM4ELMNANPC1RAB9A
SCHEMBL20918077 0.77 ALDH1A1 (0.52) MAOAKDM4ELMNANPC1RAB9A

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