SCHEMBL8885387

SCHEMBL8885387

CC(=O)OC(C)(C)C.O=C(O)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 10/20 0.49
PARP10 Q53GL7 9/20 0.49
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
GRM5 P41594 5/20 0.42
SRD5A1 P18405 3/20 0.42
SRD5A2 P31213 3/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PDPK1 O15530 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL1417726 0.85 PARP11 (0.58) PARP11PARP10PRKACAPRKACGPRKACB
SCHEMBL30337030 0.85 PARP11 (0.58) PARP11PARP10PRKACAPRKACGPRKACB
SCHEMBL1727165 0.79 PARP11 (0.72) PARP11PARP10PRKACAPRKACGPRKACB
SCHEMBL30336933 0.75 PRKACA (0.58) PARP11PARP10PRKACAPRKACGPRKACB
SCHEMBL12683051 0.75 PRKACA (0.58) PARP11PARP10PRKACAPRKACGPRKACB
SCHEMBL29631237 0.74 PARP10 (0.58) PARP11PARP10SRD5A1SRD5A2KDM4E
SCHEMBL20894239 0.74 PARP10 (0.58) PARP11PARP10SRD5A1SRD5A2KDM4E
SCHEMBL31351705 0.74 PARP11 (0.49) PARP11PARP10PRKACAPRKACGPRKACB
SCHEMBL30421037 0.73 PARP10 (0.57) PARP11PARP10PRKACAPRKACGPRKACB
SCHEMBL29144306 0.72 PARP11 (0.56) PARP11PARP10PRKACAPRKACGPRKACB

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
US-5618843-A INHIBIT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-08 US disclosed