SCHEMBL8366299

SCHEMBL8366299

CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OCCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)NC(=O)C(F)(F)F)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.44
▸ ITGAV P06756 10/20 0.44
▸ ITGB1 P05556 4/20 0.44
▸ ITGA5 P08648 4/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ ITGB5 P18084 7/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ PLAU P00749 1/20 0.39
▸ ELANE P08246 3/20 0.38
▸ MC4R P32245 2/20 0.38
▸ MC5R P33032 2/20 0.38
▸ MC3R P41968 2/20 0.38
▸ MC1R Q01726 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ ITGB6 P18564 1/20 0.38
▸ ITGB8 P26012 1/20 0.38

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
SCHEMBL14585782 0.91 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL8363710 0.89 ITGB3 (0.45) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585783 0.86 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585813 0.86 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL8365684 0.86 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL14585785 0.85 PLAU (0.42) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL8365681 0.81 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL14615578 0.80 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL14585796 0.79 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL7744062 0.78 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGB5

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
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 — — US disclosed
US-6537520-B1 Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-25 — — US disclosed
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