SCHEMBL7987102

SCHEMBL7987102

COC(=O)c1ccc(C(O)C(C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
ACE P12821 1/20 0.45

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 0.89 EDNRA (0.60) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7987491 0.88 EDNRA (0.61) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7993185 0.86 EDNRA (0.57) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7987077 0.84 NPC1 (0.55) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7986890 0.83 EDNRA (0.52) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7993516 0.79 EDNRA (0.59) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9501146 0.76 NPC1 (0.56) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10940868 0.74 NPC1 (0.58) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19625532 0.74 NPC1 (0.58) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7439246 0.74 NPC1 (0.58) EDNRANPC1RAB9ASMN1; SMN2ALDH1A1

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed