SCHEMBL7990831

SCHEMBL7990831

CCCCC(O)C(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.52
ERAP2 Q6P179 2/20 0.50
ERAP1 Q9NZ08 2/20 0.50
LNPEP Q9UIQ6 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ECE1 P42892 10/20 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
SCHEMBL7990465 0.96 MAPK1 (0.55) ACEERAP2ERAP1LNPEPMAPK1
SCHEMBL8807886 0.96 MAPK1 (0.55) ACEERAP2ERAP1LNPEPMAPK1
SCHEMBL7994217 0.96 MAPK1 (0.55) ACEERAP2ERAP1LNPEPMAPK1
SCHEMBL7993541 0.94 MAPK1 (0.54) ACEMAPK1SMN1; SMN2ECE1
SCHEMBL7987404 0.92 KMT2A (0.51) ERAP2MAPK1SMN1; SMN2
SCHEMBL7990860 0.91 MAPK1 (0.56) ACEMAPK1SMN1; SMN2ECE1
SCHEMBL7990814 0.88 MAPK1 (0.53) MAPK1SMN1; SMN2
SCHEMBL7987502 0.88 MAPK1 (0.58) ACEMAPK1SMN1; SMN2ECE1
SCHEMBL7990236 0.87 MAPK1 (0.53) ERAP2ERAP1MAPK1SMN1; SMN2
SCHEMBL7976001 0.86 ERAP2 (0.56) ERAP2ERAP1LNPEPMAPK1SMN1; 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 3 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
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed