SCHEMBL7990089

SCHEMBL7990089

O=C(OCc1ccccc1)C(c1ccc2c(c1)OCO2)C(O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.60
MAOB P27338 4/20 0.56
MAOA P21397 1/20 0.56
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 1/20 0.48
ACE P12821 1/20 0.46
PRKCZ Q05513 1/20 0.46
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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 0.96 EDNRA (0.61) EDNRAMAOBMAOANPC1ALDH1A1
SCHEMBL7993185 0.94 EDNRA (0.57) EDNRAMAOBMAOANPC1ALDH1A1
SCHEMBL7987102 0.89 EDNRA (0.52) EDNRAMAOBMAOANPC1ALDH1A1
SCHEMBL7993516 0.87 EDNRA (0.59) EDNRAMAOBMAOANPC1ALDH1A1
SCHEMBL7986890 0.86 EDNRA (0.52) EDNRAMAOBMAOANPC1ALDH1A1
SCHEMBL7993756 0.82 ACE (0.53) EDNRAMAOBMAOANPC1ALDH1A1
SCHEMBL7987319 0.82 MAPK1 (0.50) EDNRANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27969666 0.79 CYP3A4 (0.62) EDNRANPC1ALDH1A1TP53MAPT
SCHEMBL27969720 0.79 CYP3A4 (0.62) EDNRANPC1ALDH1A1TP53MAPT
SCHEMBL19625532 0.78 NPC1 (0.58) EDNRAMAOBMAOANPC1ALDH1A1

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