SCHEMBL7990814

SCHEMBL7990814

CCCCC(O)C(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HCRTR1 O43613 1/20 0.52
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
KCNA5 P22460 1/20 0.47
MAPT P10636 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 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
SCHEMBL7987378 0.98 MAPK1 (0.53) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7987404 0.96 KMT2A (0.51) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7988051 0.95 SMN1; SMN2 (0.55) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7990236 0.94 MAPK1 (0.53) MAPK1SMN1; SMN2MMP2MMP9MMP8
SCHEMBL8807886 0.92 MAPK1 (0.55) MAPK1SMN1; SMN2
SCHEMBL7990465 0.92 MAPK1 (0.55) MAPK1SMN1; SMN2
SCHEMBL7994217 0.92 MAPK1 (0.55) MAPK1SMN1; SMN2
SCHEMBL7986343 0.92 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7976001 0.92 ERAP2 (0.56) MAPK1SMN1; SMN2
SCHEMBL7993541 0.90 MAPK1 (0.54) MAPK1SMN1; SMN2

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