SCHEMBL8809339

SCHEMBL8809339

CCCCc1nc(CC(C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)c(C(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.44
ACE P12821 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PRKCZ Q05513 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL8809082 0.98 EDNRA (0.44) EDNRAACEHRH4ALDH1A1MAPT
SCHEMBL8807025 0.89 EDNRA (0.41) EDNRAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8809202 0.88 EDNRA (0.40) EDNRAACEALDH1A1MAPTLMNA
SCHEMBL8809676 0.87 EDNRA (0.41) EDNRAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8809473 0.86 TACR1 (0.45) SMN1; SMN2MAPK1
SCHEMBL8807936 0.84 TACR1 (0.45) SMN1; SMN2MAPK1
SCHEMBL8807087 0.84 EDNRA (0.42) EDNRAALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL8809374 0.82 EDNRA (0.40) EDNRAACEHRH4ALDH1A1MAPT
SCHEMBL8810904 0.82 TACR1 (0.46) SMN1; SMN2MAPK1
SCHEMBL8809610 0.81 EDNRA (0.44) EDNRAALDH1A1MAPTTP53SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed