SCHEMBL31336086

SCHEMBL31336086

CC(C)(C)c1cc(C(=O)O)c(O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALOX15 P16050 2/20 0.40
CYP1A2 P05177 1/20 0.40
ATP2A2 P16615 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATP2A3 Q93084 1/20 0.40
CSNK2A1 P68400 1/20 0.40
POLB P06746 1/20 0.39
ACMSD Q8TDX5 2/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PTGS2 P35354 2/20 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
SCHEMBL31335768 1.00 GLRA3 (0.44) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL15459989 0.93 ALDH1A1 (0.45) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL31335754 0.85 ALOX15 (0.50) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL17378811 0.85 ALOX15 (0.50) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL17896567 0.85 GLRA3 (0.42) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL9323248 0.84 ALDH1A1 (0.52) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL5002782 0.82 ALDH1A1 (0.56) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL31335744 0.82 ALDH1A1 (0.56) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL15459959 0.81 GLRA3 (0.42) GLRA3GLRBALDH1A1MAPTKDM4E
SCHEMBL31336158 0.81 CA1 (0.46) ALDH1A1MAPTKDM4EALOX15CYP1A2

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