SCHEMBL31335601

SCHEMBL31335601

CC(C)(C)c1ccc(O)c(C(=O)O)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
DAO P14920 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
TYR P14679 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL17896577 0.83 GLRA3 (0.46) GLRA3GLRBDAOHSD17B1HSD17B2
SCHEMBL31336032 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL18131276 0.81 GLRA3 (0.44) GLRA3GLRBDAOALDH1A1TDP1
SCHEMBL4122613 0.81 GLRA3 (0.62) GLRA3GLRBRARBRARGCA12
SCHEMBL17374994 0.77 CA12 (0.50) GLRA3GLRBRARBRARGCA12
SCHEMBL6231030 0.77 GLRA3 (0.57) GLRA3GLRBRARBRARGCA12
SCHEMBL9381963 0.75 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL19052256 0.75 CA12 (0.46) GLRA3GLRBRARBRARGCA12
SCHEMBL17375000 0.74 GLRA3 (0.58) GLRA3GLRBRARBRARGCA12
SCHEMBL23542360 0.74 ALDH1A1 (0.45) CA1CA2ALDH1A1LMNAHSD17B10

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