SCHEMBL7987295

SCHEMBL7987295

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccc2c(c1)OCO2)C(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HCRTR1 O43613 1/20 0.51
ECE1 P42892 6/20 0.50
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL7976134 0.95 SMN1; SMN2 (0.58) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7990269 0.92 MAPK1 (0.53) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7994202 0.92 ECE1 (0.60) MAPK1SMN1; SMN2ECE1
SCHEMBL7990799 0.91 MAPK1 (0.52) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7988090 0.90 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7990128 0.89 MAPK1 (0.57) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7986343 0.88 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7989694 0.88 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1
SCHEMBL7987457 0.88 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1
SCHEMBL7993252 0.88 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1

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