SCHEMBL27831208

SCHEMBL27831208

NC(=O)CCC(NC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
ACE P12821 2/20 0.51
ECE1 P42892 11/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ERAP2 Q6P179 1/20 0.49

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
SCHEMBL29975855 0.96 CCKBR (0.52)
SCHEMBL27849701 0.92 ITGB2 (0.54) ITGB2ICAM1ITGALACEECE1
Dl-Tryptophan SCHEMBL27935802 0.91 MEN1 (0.54) ITGB2ICAM1ITGALACEECE1
SCHEMBL27765546 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALACEECE1
SCHEMBL642928 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALACEECE1
SCHEMBL11197636 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALACEECE1
SCHEMBL27765550 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALACEECE1
SCHEMBL11201374 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALACEECE1
SCHEMBL2790097 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALACEECE1
SCHEMBL27831315 0.89 GHSR (0.52) ITGB2ICAM1ITGALACEECE1

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
CN-102234314-A Preparation method of active peptides derived from snake venom and application of active peptides in antitumor aspect SHANGHAI INST PHARM INDUSTRY 2011-11-09 CN claimed
CN-102234314-A Preparation method of active peptides derived from snake venom and application of active peptides in antitumor aspect SHANGHAI INST PHARM INDUSTRY 2011-11-09 CN disclosed