SCHEMBL31723146

SCHEMBL31723146

COc1cccc2c(=O)c(C(=O)O)c(-c3cccc(C)c3)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
MAOA P21397 8/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
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
CA3 P07451 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
SCHEMBL20918077 1.00 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL31723145 0.87 ABCG2 (0.55) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL22284782 0.87 ABCG2 (0.55) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL20918264 0.85 KDM4E (0.56) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL31723147 0.85 KDM4E (0.56) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL31723117 0.82 CYP1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL20919365 0.82 CYP1A1 (0.47) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL28433340 0.81 ABCG2 (0.53) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL31723131 0.81 ABCG2 (0.53) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL31723137 0.79 KDM4E (0.72) ALDH1A1KDM4ENPC1RAB9AMAPT

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