SCHEMBL31335754

SCHEMBL31335754

CC(C)(C)c1cc(C(=O)O)c(F)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
ATP2A2 P16615 1/20 0.50
ATP2A3 Q93084 1/20 0.50
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
POLB P06746 2/20 0.42
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CYP2C9 P11712 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
SCHEMBL17378811 1.00 ALOX15 (0.50) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31336086 0.85 GLRA3 (0.44) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31335768 0.85 GLRA3 (0.44) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL17896567 0.85 GLRA3 (0.42) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31335744 0.82 ALDH1A1 (0.56) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL21694101 0.82 ALOX15 (0.62) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5002782 0.82 ALDH1A1 (0.56) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15459959 0.81 GLRA3 (0.42) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31335968 0.81 MAPT (0.46) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL17378789 0.81 MAPT (0.46) ALOX15ALDH1A1KDM4EMAPTSMN1; SMN2

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