SCHEMBL7993516

SCHEMBL7993516

O=C(OCc1ccccc1)C(c1ccc2c(c1)OCO2)C(O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.59
MAOB P27338 4/20 0.55
MAOA P21397 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ACE P12821 1/20 0.48
CYP3A4 P08684 1/20 0.47
PRKCZ Q05513 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7987491 0.88 EDNRA (0.61) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7990089 0.87 EDNRA (0.60) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7993145 0.86 LMNA (0.50) EDNRAMAPTALDH1A1NPC1RAB9A
SCHEMBL7993185 0.84 EDNRA (0.57) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7987102 0.79 EDNRA (0.52) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7993756 0.79 ACE (0.53) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL31171638 0.79 ACE (0.58) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL31171631 0.79 ACE (0.58) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7986890 0.79 EDNRA (0.52) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL9309103 0.78 ADRB3 (0.53) EDNRAMAOBMAOAMAPTALDH1A1

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