SCHEMBL7993185

SCHEMBL7993185

O=C(OCc1ccccc1)C(c1ccc2c(c1)OCO2)C(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.57
MAOB P27338 4/20 0.53
MAOA P21397 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
PRKCZ Q05513 1/20 0.48
CYP3A4 P08684 1/20 0.45
ACE P12821 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 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
SCHEMBL7990089 0.94 EDNRA (0.60) EDNRAMAOBMAOAALDH1A1MAPT
SCHEMBL7987491 0.93 EDNRA (0.61) EDNRAMAOBMAOAALDH1A1MAPT
SCHEMBL7987102 0.86 EDNRA (0.52) EDNRAMAOBMAOAALDH1A1MAPT
SCHEMBL7993516 0.84 EDNRA (0.59) EDNRAMAOBMAOAALDH1A1MAPT
SCHEMBL7986890 0.83 EDNRA (0.52) EDNRAMAOBMAOAALDH1A1MAPT
SCHEMBL7976622 0.83 MAPK9 (0.47) EDNRAALDH1A1FAAHCYP3A4ACE
SCHEMBL7993756 0.77 ACE (0.53) EDNRAMAOBMAOAALDH1A1MAPT
SCHEMBL7987319 0.76 MAPK1 (0.50) EDNRAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7439246 0.76 NPC1 (0.58) EDNRAMAOBMAOAALDH1A1MAPT
SCHEMBL19625532 0.76 NPC1 (0.58) EDNRAMAOBMAOAALDH1A1MAPT

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