SCHEMBL7990777

SCHEMBL7990777

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ECE1 P42892 7/20 0.56
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
HTT P42858 1/20 0.53
ACE P12821 1/20 0.52

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
SCHEMBL7976771 1.00 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1MMP2MMP9
SCHEMBL7987457 0.87 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7989694 0.87 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL8861653 0.84 ECE1 (0.64) ECE1MMP2MMP9MMP8ACE
SCHEMBL7987497 0.84 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7994202 0.83 ECE1 (0.60) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7990469 0.82 MAPK1 (0.54) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL15145331 0.82 MEN1 (0.66) MAPK1SMN1; SMN2MMP2MMP9MMP8
SCHEMBL7990023 0.82 MAPK1 (0.56) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7993356 0.81 ECE1 (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 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