SCHEMBL17445159

SCHEMBL17445159

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
CTSK P43235 5/20 0.48
CTSS P25774 4/20 0.48
HDAC4 P56524 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL13997297 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL17445174 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL13997367 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL17444825 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL17445170 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL13997363 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL17445175 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL17444822 0.95 CTSK (0.56) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL8823986 0.94 ITGB3 (0.54) ITGB3ITGA2BCTSKCTSSHDAC4
SCHEMBL1904291 0.94 ITGB3 (0.54) ITGB3ITGA2BCTSKCTSSHDAC4

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