SCHEMBL12463308

SCHEMBL12463308

CCCCn1cc(CCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)nn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.57
▸ ITGAV P06756 4/20 0.57
▸ ITGB1 P05556 3/20 0.57
▸ ITGA5 P08648 3/20 0.57
▸ MC4R P32245 13/20 0.47
▸ MC5R P33032 13/20 0.47
▸ MC3R P41968 13/20 0.47
▸ MC1R Q01726 13/20 0.47
▸ CXCR4 P61073 1/20 0.45
▸ ITGB5 P18084 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT7 Q9NRC8 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ TSLP Q969D9 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
SCHEMBL10138562 0.89 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15397365 0.89 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12462935 0.86 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15397366 0.81 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10138534 0.81 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13481647 0.81 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12146076 0.80 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15876015 0.80 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15107694 0.80 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10170032 0.80 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5MC4R

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
WO-2011088405-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2011-07-21 — — WO disclosed
Send feedback