SCHEMBL31336032

SCHEMBL31336032

COC(=O)c1c(O)ccc(C(C)(C)C)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA7 P43166 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
XDH P47989 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4122067 0.84 CA2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL31335601 0.82 GLRA3 (0.48) CA12CA1CA2CA7CA9
SCHEMBL24436895 0.80 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL30954081 0.79 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL27433759 0.79 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL19052255 0.79 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL17378860 0.78 CA2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL29859122 0.77 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL160098 0.77 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL2472378 0.73 CA12 (0.53) CA12CA1CA2CA7CA9

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