SCHEMBL8623907

SCHEMBL8623907

CCOC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2C1(O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
PRKCZ Q05513 1/20 0.46
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
EDNRA P25101 8/20 0.42
CYP19A1 P11511 1/20 0.41
EDNRB P24530 4/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39

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 0.93 PRKCI (0.48) PRKCIPRKCZSCN9ASMN1; SMN2KDM4E
SCHEMBL8626015 0.90 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8622696 0.87 SCN9A (0.44) PRKCIPRKCZSCN9ASMN1; SMN2KDM4E
SCHEMBL8620432 0.86 EDNRA (0.51) PRKCIPRKCZSMN1; SMN2KDM4EHSD17B10
SCHEMBL7538297 0.86 SCN9A (0.46) SCN9AEDNRAEDNRBPTGDR2
SCHEMBL8622871 0.85 EDNRA (0.51) PRKCIPRKCZSCN9AEDNRACYP19A1
SCHEMBL7538071 0.77 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7534451 0.77 EDNRA (0.48) SCN9AEDNRAEDNRB
SCHEMBL8623910 0.76 EDNRA (0.43) SCN9AEDNRAEDNRB
SCHEMBL8625505 0.74 PRKCI (0.47) PRKCIPRKCZSMN1; SMN2KDM4EHSD17B10

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