SCHEMBL31723138

SCHEMBL31723138

COc1ccc2c(=O)c(C(=O)O)c(-c3ccco3)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
KDM4E B2RXH2 10/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP3A4 P08684 4/20 0.52
HSD17B10 Q99714 3/20 0.52
THRB P10828 1/20 0.52
TP53 P04637 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
MARK4 Q96L34 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49

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
SCHEMBL20918135 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL28433348 0.91 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL31723160 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL20917913 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL31723114 0.82 TTR (0.51) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL22284787 0.82 TTR (0.51) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL20918463 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL31723132 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL20918153 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL20918249 0.78 CA1 (0.51) ALDH1A1KDM4EMAPTHPGDMEN1

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