SCHEMBL17445161

SCHEMBL17445161

COC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.47
ITGA2B P08514 8/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 4/20 0.46
ATM Q13315 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL13997361 1.00 ITGB3 (0.47) ITGB3ITGA2BCA1CA2TDP1
SCHEMBL13997341 1.00 ITGB3 (0.47) ITGB3ITGA2BCA1CA2TDP1
SCHEMBL13997317 1.00 ITGB3 (0.47) ITGB3ITGA2BCA1CA2TDP1
SCHEMBL13997340 1.00 ITGB3 (0.47) ITGB3ITGA2BCA1CA2TDP1
SCHEMBL13997326 1.00 ITGB3 (0.47) ITGB3ITGA2BCA1CA2TDP1
SCHEMBL17445167 1.00 ITGB3 (0.47) ITGB3ITGA2BCA1CA2TDP1
SCHEMBL13997312 1.00 ITGB3 (0.47) ITGB3ITGA2BCA1CA2TDP1
SCHEMBL16217782 0.94 TDP1 (0.50) CA1CA2TDP1ATMCTSS
SCHEMBL19975659 0.94 TDP1 (0.50) CA1CA2TDP1ATMCTSS
SCHEMBL17445170 0.93 ITGB3 (0.51) ITGB3ITGA2BCTSSCTSK

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-9238697-B2 Polymeric materials and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-19 US disclosed