SCHEMBL9822846

SCHEMBL9822846

CCS(=O)(=O)c1cc2c(c(OC(=O)O)c1)OC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
BRD4 O60885 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9822840 0.81 PARP1 (0.46) PARP1KDM4EGLABRD4TDP1
SCHEMBL9822911 0.75 PGR (0.34) KDM4EBRD4TDP1ALDH1A1
SCHEMBL10370905 0.72 ALDH1A1 (0.40) KDM4ETDP1ALDH1A1
SCHEMBL9868369 0.69 PARP1 (0.42) PARP1BRD4TDP1
SCHEMBL10814991 0.67 BRD4 (0.48) PARP1BRD4TDP1
SCHEMBL10810657 0.67 PARP1 (0.42) PARP1
SCHEMBL10805151 0.66 PARP1 (0.50) PARP1BRD4TDP1
SCHEMBL9867744 0.66 PARP1 (0.47) PARP1BRD4TDP1
SCHEMBL14907125 0.65 TDP1 (0.52) PARP1KDM4ETDP1ALDH1A1GAA
SCHEMBL9867437 0.64 PARP1 (0.45) PARP1KDM4EBRD4TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231139-B1 DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS Laboratoires DELAGRANGE (FR) 1991-12-04 EP claimed