SCHEMBL31336036

SCHEMBL31336036

COc1cc(O)c(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
HPGD P15428 3/20 0.58
CYP3A4 P08684 2/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
HTT P42858 2/20 0.49
HMGCR P04035 1/20 0.45
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
PTGS2 P35354 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL10395229 0.86 HTT (0.68) LMNAHPGDCYP3A4TP53ALOX15
SCHEMBL19834717 0.86 HPGD (0.52) LMNAHPGDCYP3A4TP53ALOX15
SCHEMBL1038769 0.81 HTT (0.70) LMNAHPGDCYP3A4HTTHMGCR
SCHEMBL9323248 0.81 ALDH1A1 (0.52) LMNAHPGDCYP3A4TP53ALOX15
SCHEMBL28252586 0.81 HTT (0.70) LMNAHPGDCYP3A4HTTHMGCR
SCHEMBL22949520 0.80 ALDH1A1 (0.53) LMNAHPGDCYP3A4TP53ALOX15
SCHEMBL31335744 0.80 ALDH1A1 (0.56) LMNAHPGDCYP3A4TP53ALOX15
SCHEMBL20724883 0.80 HTT (0.57) LMNAHPGDCYP3A4HTTHMGCR
SCHEMBL5002782 0.80 ALDH1A1 (0.56) LMNAHPGDCYP3A4TP53ALOX15
SCHEMBL3836141 0.80 MAPT (0.64) LMNAHPGDCYP3A4HTTHMGCR

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