SCHEMBL6475679

SCHEMBL6475679

CCOC(=O)c1ccc2c(c1)OC(O)C(=O)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.46
APOBEC3A P31941 2/20 0.46
EIF4H Q15056 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 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
SCHEMBL6471329 0.73 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL17324330 0.72 RIPK1 (0.43)
SCHEMBL23189229 0.70 MAPT (0.37) PABPC1APOBEC3AEIF4HAPOBEC3GF2
SCHEMBL5542456 0.69 CA12 (0.48) PABPC1APOBEC3AEIF4HAPOBEC3GCA12
SCHEMBL28542138 0.69 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6044544 0.68 MAPT (0.51) CA12CA1CA2CA7CA9
SCHEMBL21189926 0.67 ALDH1A1 (0.64) PABPC1APOBEC3AEIF4HAPOBEC3GCA12
SCHEMBL703438 0.67 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8615030 0.67 DRD3 (0.47) CA12CA1CA2CA7CA9
SCHEMBL4621893 0.66 CA12 (0.56) 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
WO-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed
WO-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed