SCHEMBL7990465

SCHEMBL7990465

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACE P12821 2/20 0.52
ERAP2 Q6P179 2/20 0.51
ERAP1 Q9NZ08 2/20 0.51
LNPEP Q9UIQ6 2/20 0.51
ECE1 P42892 9/20 0.50

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
SCHEMBL7994217 1.00 MAPK1 (0.55) MAPK1SMN1; SMN2ACEERAP2ERAP1
SCHEMBL8807886 1.00 MAPK1 (0.55) MAPK1SMN1; SMN2ACEERAP2ERAP1
SCHEMBL7993541 0.98 MAPK1 (0.54) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990831 0.96 ACE (0.52) MAPK1SMN1; SMN2ACEERAP2ERAP1
SCHEMBL7990860 0.95 MAPK1 (0.56) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990814 0.92 MAPK1 (0.53) MAPK1SMN1; SMN2
SCHEMBL7987502 0.92 MAPK1 (0.58) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990236 0.91 MAPK1 (0.53) MAPK1SMN1; SMN2ERAP2ERAP1
SCHEMBL7976001 0.90 ERAP2 (0.56) MAPK1SMN1; SMN2ERAP2ERAP1LNPEP
SCHEMBL7987378 0.90 MAPK1 (0.53) MAPK1SMN1; SMN2

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