SCHEMBL8530802

SCHEMBL8530802

COP(=O)(NC(Cc1c[nH]c2ccccc12)C(=O)O)OC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.63
ALOX15 P16050 1/20 0.61
ITGB2 P05107 4/20 0.60
ICAM1 P05362 4/20 0.60
ITGAL P20701 4/20 0.60
POLB P06746 4/20 0.58
P2RY14 Q15391 1/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
APAF1 O14727 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.56
ECE1 P42892 2/20 0.55

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
SCHEMBL8530804 1.00 ACE (0.63) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL7103470 0.85 ACE (0.65) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL7103473 0.85 ACE (0.65) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL231803 0.83 ALOX15 (0.66) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL231804 0.83 ALOX15 (0.66) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL11369419 0.81 ALOX15 (0.72) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL27403392 0.81 ALOX15 (0.72) ACEALOX15ITGB2ICAM1ITGAL
Benzene SCHEMBL27549804 0.81 ALOX15 (0.72) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL753982 0.81 ALOX15 (0.72) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL3381353 0.81 ALOX15 (0.67) ACEALOX15ITGB2ICAM1ITGAL

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-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed