SCHEMBL7988090

SCHEMBL7988090

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccc2c(c1)OCO2)C(O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HCRTR1 O43613 1/20 0.49
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
TP53 P04637 1/20 0.45
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 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
SCHEMBL7986500 0.94 MAPK1 (0.53) SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL7976134 0.93 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7987295 0.90 MAPK1 (0.55) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990269 0.88 MAPK1 (0.53) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7986343 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7986588 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990128 0.87 MAPK1 (0.57) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7993252 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990799 0.85 MAPK1 (0.52) SMN1; SMN2MAPK1KMT2AMEN1HCRTR1
SCHEMBL7990434 0.85 SMN1; SMN2 (0.52) 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 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