SCHEMBL7903291

SCHEMBL7903291

NCCCC[C@H](NC(=O)CN)C(=O)N1CCC(O)[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.41
ITGA2B P08514 11/20 0.41
ACE P12821 2/20 0.39
CPB2 Q96IY4 1/20 0.39
DPP7 Q9UHL4 3/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
ACE2 Q9BYF1 1/20 0.36
SLC15A2 Q16348 1/20 0.36
FAP Q12884 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL468714 0.88 ITGB3 (0.49) ITGB3ITGA2BACECPB2DPP7
SCHEMBL29363178 0.81 ACE (0.59) ACE
SCHEMBL3277467 0.79 DPP7 (0.56) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL7903306 0.79 ACE (0.46) ITGB3ITGA2BACECPB2DPP7
SCHEMBL28746476 0.79 ACE (0.46) ITGB3ITGA2BACECPB2DPP7
SCHEMBL17974651 0.78 PREP (0.35) ITGB3ITGA2BACEDPP4FAP
SCHEMBL29656374 0.71 ACE (0.47) ITGB3ITGA2BACECPB2
SCHEMBL29935492 0.71 ITGB3 (0.47) ITGB3ITGA2BACE
SCHEMBL468718 0.71 ATM (0.45) ITGB3ITGA2BACECPB2ACE2
SCHEMBL1455498 0.70 FOLH1 (0.62) CPB2SLC15A2

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-1143925-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS Yu, Ruey J., Dr. (US) 2001-10-17 EP disclosed
WO-2000040217-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS YUGENIC LIMITED PARTNERSHIP (US) 2000-07-13 WO disclosed