SCHEMBL7987502

SCHEMBL7987502

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ACE P12821 2/20 0.56
ECE1 P42892 11/20 0.53

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
SCHEMBL7990860 0.93 MAPK1 (0.56) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7976182 0.92 MAPK1 (0.57) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7994217 0.92 MAPK1 (0.55) MAPK1SMN1; SMN2ACEECE1
SCHEMBL8807886 0.92 MAPK1 (0.55) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990465 0.92 MAPK1 (0.55) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7989691 0.91 ECE1 (0.60) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7986343 0.91 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2
SCHEMBL7990023 0.91 MAPK1 (0.56) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7993541 0.91 MAPK1 (0.54) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990272 0.91 MAPK1 (0.56) 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