SCHEMBL7986607

SCHEMBL7986607

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(c1ccc2c(c1)OCO2)C(O)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
ECE1 P42892 6/20 0.50
ACE P12821 2/20 0.50
NMBR P28336 1/20 0.47

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
SCHEMBL7987574 1.00 MAPK1 (0.53) MAPK1SMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL7990351 1.00 MAPK1 (0.53) MAPK1SMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL7993619 0.96 MAPK1 (0.55) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7988173 0.92 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2NMBR
SCHEMBL7987494 0.89 MAPK1 (0.51) MAPK1SMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL7993252 0.88 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2
SCHEMBL7987497 0.87 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7987457 0.86 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7989694 0.86 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7988097 0.85 ACE (0.59) MAPK1SMN1; SMN2ECE1ACE

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