SCHEMBL31723148

SCHEMBL31723148

COc1ccc2c(=O)c(C(=O)O)c(-c3cccc(C)c3)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 9/20 0.57
HPGD P15428 7/20 0.57
MAPT P10636 5/20 0.57
CYP3A4 P08684 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HSD17B10 Q99714 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
TP53 P04637 3/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
CSNK2A2 P19784 1/20 0.52

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
SCHEMBL28430712 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL31723126 0.91 KDM4E (0.67) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL20918247 0.91 KDM4E (0.67) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL31723158 0.88 MAPT (0.68) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL28431175 0.88 MAPT (0.68) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL31723125 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL20918138 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL20919306 0.84 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL31723140 0.84 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL31723137 0.83 KDM4E (0.72) ALDH1A1KDM4EHPGDMAPTCYP3A4

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