SCHEMBL8621700

SCHEMBL8621700

CCOC(=O)C1C(c2ccc(OC)cc2)c2ccccc2C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.52
EDNRB P24530 3/20 0.52
ALDH1A1 P00352 8/20 0.46
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PREP P48147 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL8683478 0.87 EDNRA (0.67) EDNRAEDNRBALDH1A1TSHRMEN1
SCHEMBL7534053 0.85 EDNRA (0.73) EDNRAEDNRB
SCHEMBL8623614 0.85 EDNRA (0.70) EDNRAEDNRBALDH1A1TSHRMEN1
SCHEMBL8623838 0.83 EDNRA (0.60) EDNRAEDNRBALDH1A1TSHRMEN1
SCHEMBL8624326 0.79 MEN1 (0.39) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL7810966 0.77 EDNRB (0.75) EDNRAEDNRB
SCHEMBL8626850 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL8289267 0.74 MAPK1 (0.49) EDNRAEDNRBALDH1A1TSHRMEN1
SCHEMBL8627907 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL7589806 0.70 EDNRA (1.00) EDNRAEDNRBALDH1A1TSHRMEN1

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