SCHEMBL7987404

SCHEMBL7987404

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HCRTR1 O43613 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
KCNA5 P22460 1/20 0.46
MAPT P10636 2/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
IL1RN P18510 1/20 0.45
ERAP2 Q6P179 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7990814 0.96 MAPK1 (0.53) KMT2AMEN1HCRTR1SMN1; SMN2MAPK1
SCHEMBL7987378 0.94 MAPK1 (0.53) KMT2AMEN1HCRTR1SMN1; SMN2MAPK1
SCHEMBL7990831 0.92 ACE (0.52) SMN1; SMN2MAPK1ERAP2
SCHEMBL7988051 0.91 SMN1; SMN2 (0.55) KMT2AMEN1HCRTR1SMN1; SMN2MAPK1
SCHEMBL7990236 0.91 MAPK1 (0.53) SMN1; SMN2MAPK1MMP2MMP9MMP8
SCHEMBL8807886 0.88 MAPK1 (0.55) SMN1; SMN2MAPK1ERAP2
SCHEMBL7994217 0.88 MAPK1 (0.55) SMN1; SMN2MAPK1ERAP2
SCHEMBL7990465 0.88 MAPK1 (0.55) SMN1; SMN2MAPK1ERAP2
SCHEMBL7976001 0.88 ERAP2 (0.56) SMN1; SMN2MAPK1IL1RNERAP2
SCHEMBL7986343 0.88 SMN1; SMN2 (0.56) KMT2AMEN1HCRTR1SMN1; SMN2MAPK1

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