SCHEMBL8445345

SCHEMBL8445345

COc1ccccc1Oc1c(OCCO)cc(C(=O)N2CCCCC2)cc1OS(=O)(=O)c1ccc(C(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.53
EDNRB P24530 18/20 0.53
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8441536 0.93 EDNRA (0.61) EDNRAEDNRB
SCHEMBL8441661 0.93 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8444966 0.92 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8444398 0.88 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7565518 0.87 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7566467 0.81 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7574597 0.81 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8444958 0.81 EDNRA (0.42) EDNRAEDNRB
SCHEMBL7569554 0.80 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7565787 0.79 EDNRA (0.69) 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-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US claimed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed