SCHEMBL7993619

SCHEMBL7993619

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(c1ccc2c(c1)OCO2)C(O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACE P12821 2/20 0.52
ECE1 P42892 7/20 0.52
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
LTA4H P09960 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
SCHEMBL7986607 0.96 MAPK1 (0.53) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7987574 0.96 MAPK1 (0.53) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990351 0.96 MAPK1 (0.53) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7993252 0.92 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2MMP2MMP9MMP8
SCHEMBL7987497 0.89 MAPK1 (0.58) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7989694 0.89 MAPK1 (0.57) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7987457 0.89 MAPK1 (0.57) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7988097 0.88 ACE (0.59) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7988173 0.88 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2MMP2MMP9MMP8
SCHEMBL7994202 0.87 ECE1 (0.60) MAPK1SMN1; SMN2ACEECE1

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