SCHEMBL7987491

SCHEMBL7987491

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.61
MAOB P27338 4/20 0.57
MAOA P21397 1/20 0.57
TSHR P16473 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 1/20 0.49
ACE P12821 1/20 0.47
PRKCZ Q05513 1/20 0.47
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
HRH4 Q9H3N8 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
SCHEMBL7990089 0.96 EDNRA (0.60) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL7993185 0.93 EDNRA (0.57) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL7987102 0.88 EDNRA (0.52) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL7993516 0.88 EDNRA (0.59) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL7986890 0.87 EDNRA (0.52) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL19625532 0.82 NPC1 (0.58) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL7439246 0.82 NPC1 (0.58) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL7429787 0.82 NPC1 (0.58) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL10940868 0.82 NPC1 (0.58) EDNRAMAOBMAOATSHRALDH1A1
SCHEMBL9501146 0.80 NPC1 (0.56) EDNRAMAOBMAOATSHRALDH1A1

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