SCHEMBL31723145

SCHEMBL31723145

COc1ccc(-c2oc3c(OC)cccc3c(=O)c2C(=O)O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.55
ABCB1 P08183 4/20 0.55
ABCC1 P33527 1/20 0.53
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BCL9 O00512 3/20 0.48
CTNNB1 P35222 3/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAOA P21397 6/20 0.47

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
SCHEMBL22284782 1.00 ABCG2 (0.55) ABCG2ABCB1ABCC1KDM4EALDH1A1
SCHEMBL28433340 0.91 ABCG2 (0.53) ABCG2ABCB1ABCC1KDM4EALDH1A1
SCHEMBL31723131 0.91 ABCG2 (0.53) ABCG2ABCB1ABCC1KDM4EALDH1A1
SCHEMBL31723146 0.87 ALDH1A1 (0.52) ABCG2ABCB1KDM4EALDH1A1LMNA
SCHEMBL20918077 0.87 ALDH1A1 (0.52) ABCG2ABCB1KDM4EALDH1A1LMNA
SCHEMBL20919365 0.86 CYP1A1 (0.47) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL31723117 0.86 CYP1A1 (0.47) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL28425332 0.84 MEN1 (0.72) ABCG2ABCB1ABCC1KDM4EALDH1A1
SCHEMBL31723152 0.84 MEN1 (0.72) ABCG2ABCB1ABCC1KDM4EALDH1A1
SCHEMBL10842121 0.79 LMNA (0.53) ABCG2ABCB1ABCC1KDM4EALDH1A1

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