SCHEMBL2456581

SCHEMBL2456581

Cc1c(C(=O)O)cc(O)c(O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
SELL P14151 2/20 0.44
SELP P16109 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL39512 0.86 CSNK2A1 (0.47) CSNK2A1KDM4ETDP1MEN1KMT2A
Water SCHEMBL28507409 0.84 CSNK2A1 (0.45) CSNK2A1KDM4ETDP1MEN1KMT2A
SCHEMBL27534718 0.83 LDHA (0.44) CSNK2A1KDM4ETDP1MEN1KMT2A
Hydrogen Sulfide SCHEMBL27850210 0.83 CSNK2A1 (0.44) CSNK2A1KDM4ETDP1MEN1KMT2A
SCHEMBL13912812 0.82 MEN1 (0.47) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL12379051 0.82 KMT2A (0.53) CSNK2A1KDM4ETDP1MEN1KMT2A
SCHEMBL11083912 0.82 THRB (0.48) CSNK2A1KDM4ETDP1MEN1KMT2A
SCHEMBL5268292 0.80 CYP3A4 (0.50) CSNK2A1KDM4ETDP1MEN1KMT2A
SCHEMBL23600935 0.78 CSNK2A1 (0.44) CSNK2A1KDM4ETDP1MEN1KMT2A
SCHEMBL27801639 0.78 KDM4E (0.57) CSNK2A1KDM4ETDP1MEN1KMT2A

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 3 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
EP-2368602-A1 Deodorant perfume composition comprising essential oils for masking an acid odour Takasago International Corporation (JP) 2011-09-28 EP disclosed