SCHEMBL8622696

SCHEMBL8622696

CCOC(=O)C1=C(c2ccccc2)c2ccccc2C1(O)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.44
PRKCI P41743 1/20 0.44
PRKCZ Q05513 1/20 0.44
CFTR P13569 2/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP19A1 P11511 1/20 0.42
GLA P06280 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EDNRA P25101 1/20 0.40

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
SCHEMBL7945230 0.94 PRKCI (0.48) SCN9APRKCIPRKCZALDH1A1CYP19A1
SCHEMBL8623907 0.87 PRKCI (0.46) SCN9APRKCIPRKCZALDH1A1CYP19A1
SCHEMBL8626015 0.86 EDNRA (0.53) EDNRA
SCHEMBL7538989 0.85 SCN9A (0.47) SCN9AEDNRA
SCHEMBL8622871 0.85 EDNRA (0.51) SCN9APRKCIPRKCZCYP19A1EDNRA
SCHEMBL8620432 0.82 EDNRA (0.51) PRKCIPRKCZCYP19A1KDM4ETP53
SCHEMBL7534451 0.80 EDNRA (0.48) SCN9AEDNRA
SCHEMBL8622698 0.76 SCN9A (0.46) SCN9AEDNRA
SCHEMBL7538071 0.74 EDNRA (0.54) EDNRA
SCHEMBL5138430 0.74 ALDH1A1 (0.48) ALDH1A1GLACTDSP1KDM4ETP53

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