SCHEMBL7986500

SCHEMBL7986500

COc1cc(C(O)C(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2ccc3c(c2)OCO3)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ECE1 P42892 9/20 0.50
ACE P12821 2/20 0.50
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL7988090 0.94 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7987497 0.90 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7989694 0.89 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7987457 0.89 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7994202 0.88 ECE1 (0.60) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7990469 0.86 MAPK1 (0.54) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7987502 0.86 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7976134 0.86 SMN1; SMN2 (0.58) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7976182 0.85 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