SCHEMBL31335772

SCHEMBL31335772

CC(C)c1cc(O)c(O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRB2 P47870 1/20 0.53
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
TDP1 Q9NUW8 5/20 0.44
GRM1 Q13255 3/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 3/20 0.44
KMT2A Q03164 3/20 0.44
GRM2 Q14416 2/20 0.44
SELL P14151 2/20 0.42
SELP P16109 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL4869322 1.00 GABRA1 (0.53) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL212716 0.82 FABP3 (0.60) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL29593831 0.82 FABP3 (0.60) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL15524641 0.82 HDAC4 (0.42) ALDH1A1HSD17B10KDM4EHPGDTDP1
SCHEMBL11797932 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL10618114 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL11794494 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL11783529 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
Water SCHEMBL5706121 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL6910525 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed