SCHEMBL31723162

SCHEMBL31723162

Cc1ccc2oc(-c3ccc(F)c(F)c3)c(C(=O)O)c(=O)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
NPC1 O15118 2/20 0.71
HPGD P15428 2/20 0.71
RAB9A P51151 2/20 0.71
HTT P42858 1/20 0.71
ANO1 Q5XXA6 8/20 0.54
CSNK2A2 P19784 5/20 0.51
CSNK2B P67870 5/20 0.51
CSNK2A1 P68400 5/20 0.51
TP53 P04637 4/20 0.51
CYP3A4 P08684 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
RXFP1 Q9HBX9 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL20919197 1.00 MAPT (0.71) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20918269 0.90 ALDH1A1 (0.57) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL31723177 0.90 ALDH1A1 (0.57) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL31723136 0.86 MAPT (0.52) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20919202 0.86 MAPT (0.52) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL31723133 0.85 MAPT (0.79) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL22284779 0.85 MAPT (0.79) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20918210 0.85 MAPT (0.74) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL31723169 0.85 MAPT (0.74) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20918191 0.84 MAPT (0.77) MAPTKDM4EALDH1A1SMN1; SMN2MEN1

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