SCHEMBL31335968

SCHEMBL31335968

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
ATP2A2 P16615 1/20 0.45
ATP2A3 Q93084 1/20 0.45
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
PDK2 Q15119 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
SCHEMBL17378789 1.00 MAPT (0.46) MAPTPOLBALOX15KDM4ESMN1; SMN2
SCHEMBL31336158 0.87 CA1 (0.46) MAPTPOLBALOX15KDM4ESMN1; SMN2
SCHEMBL22222148 0.82 CA12 (0.50) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8008742 0.81 ALOX15 (0.47) MAPTPOLBALOX15KDM4ESMN1; SMN2
SCHEMBL28937454 0.81 ALOX15 (0.56) MAPTPOLBALOX15KDM4ESMN1; SMN2
SCHEMBL31335754 0.81 ALOX15 (0.50) MAPTPOLBALOX15KDM4ESMN1; SMN2
SCHEMBL17378811 0.81 ALOX15 (0.50) MAPTPOLBALOX15KDM4ESMN1; SMN2
SCHEMBL23906095 0.80 CA12 (0.48) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL522786 0.78 CA12 (0.47) MAPTPOLBKDM4EALDH1A1LMNA
SCHEMBL24436889 0.77 CA12 (0.48) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1

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