SCHEMBL31723182

SCHEMBL31723182

Cc1cccc(-c2oc3ccc(C)cc3c(=O)c2C(=O)O)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.85
KDM4E B2RXH2 8/20 0.85
ALDH1A1 P00352 7/20 0.85
HPGD P15428 6/20 0.85
SMN1; SMN2 Q16637 3/20 0.85
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
NPC1 O15118 2/20 0.85
RAB9A P51151 2/20 0.85
HTT P42858 1/20 0.85
TP53 P04637 5/20 0.55
CSNK2A2 P19784 5/20 0.55
CSNK2B P67870 5/20 0.55
CSNK2A1 P68400 5/20 0.55
HSD17B10 Q99714 4/20 0.52
CYP3A4 P08684 3/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 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
SCHEMBL20918213 1.00 MAPT (0.85) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28427581 0.90 MAPT (0.70) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31723150 0.90 MAPT (0.70) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31723173 0.90 MAPT (0.77) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL20918191 0.90 MAPT (0.77) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31723166 0.90 MAPT (0.70) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28431175 0.90 MAPT (0.68) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31723137 0.90 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31723158 0.90 MAPT (0.68) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28429262 0.90 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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