SCHEMBL31723130

SCHEMBL31723130

COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
CASP1 P29466 3/20 0.56
CYP3A4 P08684 2/20 0.56
CASP7 P55210 2/20 0.56
ABCB1 P08183 2/20 0.54
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ABCG2 Q9UNQ0 4/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL22284795 1.00 CA1 (0.60) CA1CA2MAPTKDM4EMEN1
SCHEMBL31723144 0.91 MAPT (0.62) CA1CA2MAPTKDM4EMEN1
SCHEMBL20918230 0.91 MAPT (0.62) CA1CA2MAPTKDM4EMEN1
SCHEMBL31723149 0.87 MAPT (0.73) CA2MAPTKDM4EMEN1ALDH1A1
SCHEMBL22284778 0.87 MAPT (0.73) CA2MAPTKDM4EMEN1ALDH1A1
SCHEMBL31723129 0.86 KDM4E (0.56) CA1CA2MAPTKDM4EMEN1
SCHEMBL28425332 0.85 MEN1 (0.72) CA1CA2MAPTKDM4EMEN1
SCHEMBL31723152 0.85 MEN1 (0.72) CA1CA2MAPTKDM4EMEN1
SCHEMBL30667420 0.85 MAPT (0.76) CA1CA2MAPTKDM4EMEN1
SCHEMBL31255926 0.84 MAPT (0.56) CA1CA2MAPTKDM4EMEN1

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