SCHEMBL8620561

SCHEMBL8620561

CCOC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2C1c1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.48
PRKCZ Q05513 1/20 0.48
FABP7 O15540 2/20 0.46
FABP3 P05413 2/20 0.46
FABP5 Q01469 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCD5 Q86SK9 1/20 0.43
CYP19A1 P11511 1/20 0.43
EDNRA P25101 1/20 0.42
DHFR P00374 1/20 0.42
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
EDNRB P24530 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL7947116 0.87 ALDH1A1 (0.51) PRKCIPRKCZSMN1; SMN2KDM4ETP53
SCHEMBL7533246 0.87 FABP7 (0.54) FABP7FABP3FABP5SCD5EDNRA
SCHEMBL8623769 0.87 EDNRA (0.49) PRKCIPRKCZEDNRAEDNRBALDH1A1
SCHEMBL8625505 0.86 PRKCI (0.47) PRKCIPRKCZSMN1; SMN2KDM4ETP53
SCHEMBL8621789 0.85 ABCB1 (0.46) PRKCIPRKCZSCD5EDNRAMGAM
SCHEMBL8622121 0.81 ALDH1A1 (0.51) PRKCIPRKCZTP53HSD17B10MGAM
SCHEMBL8678051 0.78 EDNRA (0.52) SMN1; SMN2EDNRAEDNRBALDH1A1
SCHEMBL8620562 0.77 FABP7 (0.52) FABP7FABP3FABP5SCD5EDNRA
SCHEMBL8620432 0.76 EDNRA (0.51) PRKCIPRKCZSMN1; SMN2KDM4ETP53
SCHEMBL7531484 0.73 EDNRA (0.56) EDNRAEDNRB

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-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed