SCHEMBL9197441

SCHEMBL9197441

NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.53
▸ ITGA2B P08514 4/20 0.53
▸ SIRT2 Q8IXJ6 2/20 0.52
▸ SIRT1 Q96EB6 2/20 0.52
▸ SIRT3 Q9NTG7 2/20 0.52
▸ DPP4 P27487 2/20 0.52
▸ PRSS1 P07477 3/20 0.51
▸ PRSS2 P07478 3/20 0.51
▸ PRSS3 P35030 3/20 0.51
▸ TPSAB1 Q15661 3/20 0.51
▸ ECE1 P42892 1/20 0.51
▸ TLR2 O60603 2/20 0.50
▸ DPP8 Q6V1X1 2/20 0.49
▸ CPB1 P15086 1/20 0.48
▸ CPB2 Q96IY4 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.48
▸ CTSL P07711 1/20 0.47

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
SCHEMBL23044896 0.93 ITGB3 (0.58) ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL15519969 0.93 ITGB3 (0.58) ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL7530387 0.89 PRSS1 (0.60) ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL9086439 0.87 ITGB3 (0.60) ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL5692870 0.87 ITGB3 (0.60) ITGB3ITGA2BSIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL7284348 0.86 ITGB3 (0.58) ITGB3ITGA2BSIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL7284342 0.86 ITGB3 (0.58) ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL1840309 0.84 SIRT2 (0.61) ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL6477219 0.84 SIRT2 (0.61) ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL1840311 0.84 SIRT2 (0.61) ITGB3ITGA2BSIRT2SIRT1SIRT3

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
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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