SCHEMBL7987407

SCHEMBL7987407

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccc2c(c1)OCO2)C(O)CC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HCRTR1 O43613 1/20 0.51
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MAPT P10636 2/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
TP53 P04637 1/20 0.46
TACR1 P25103 2/20 0.46

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
SCHEMBL7990272 0.92 MAPK1 (0.56) SMN1; SMN2MAPK1
SCHEMBL7986343 0.91 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7987403 0.89 MMP2 (0.57) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7988051 0.89 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7976134 0.89 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990128 0.88 MAPK1 (0.57) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990814 0.88 MAPK1 (0.53) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7987378 0.87 MAPK1 (0.53) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7993252 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7986588 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1

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