SCHEMBL7990469

SCHEMBL7990469

O=C(O)c1ccc(C(O)C(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ACE P12821 2/20 0.52
ECE1 P42892 7/20 0.51
ERAP2 Q6P179 1/20 0.51
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 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
SCHEMBL7989694 0.95 MAPK1 (0.57) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7987457 0.95 MAPK1 (0.57) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7987497 0.94 MAPK1 (0.58) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7994202 0.93 ECE1 (0.60) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7988097 0.87 ACE (0.59) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7976634 0.87 MAPK1 (0.53) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7986500 0.86 MAPK1 (0.53) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7987502 0.86 MAPK1 (0.58) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990023 0.86 MAPK1 (0.56) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990331 0.86 MAPK1 (0.52) MAPK1SMN1; SMN2ACEECE1ITGB2

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed