SCHEMBL15876015

SCHEMBL15876015

CC(=O)Oc1cc(C(=O)NCCCCNC(=O)C(N)CCCCn2cc(CCC(=O)NCCCC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC3=O)nn2)cc(OC(C)=O)c1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.52
▸ ITGAV P06756 6/20 0.52
▸ ITGB1 P05556 5/20 0.52
▸ ITGA5 P08648 5/20 0.52
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ MC4R P32245 9/20 0.40
▸ MC5R P33032 9/20 0.40
▸ MC3R P41968 9/20 0.40
▸ MC1R Q01726 9/20 0.40
▸ ITGB5 P18084 2/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA10 Q9GZZ6 1/20 0.39
▸ CHRNA9 Q9UGM1 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ TSLP Q969D9 1/20 0.39
▸ CTSG P08311 1/20 0.39
▸ PLAU P00749 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
SCHEMBL15876018 0.95 ITGB3 (0.45) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL15397365 0.81 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL10138562 0.81 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL12463308 0.80 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24872452 0.79 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL7743670 0.79 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL22970321 0.79 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL7744260 0.79 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19981446 0.79 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15888949 0.78 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5KEAP1

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
EP-2757098-A1 Compounds for Functionalizing Biomaterials Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2014-07-23 — — EP disclosed
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