SCHEMBL14200217

SCHEMBL14200217

CCCCN(CCC(C)(C)C)S(=O)(=O)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL14200183 0.90 CA1 (0.39)
SCHEMBL14229345 0.88 TP53 (0.36) TP53
SCHEMBL14200186 0.86 CA1 (0.34) ESR2
SCHEMBL14229451 0.84 CA1 (0.43) TP53
SCHEMBL14200390 0.84 TP53 (0.32) TP53
SCHEMBL14200218 0.81 CNR2 (0.39) ESR2TP53
SCHEMBL14200202 0.81 CNR2 (0.33) ESR2
SCHEMBL14200435 0.81
SCHEMBL14200221 0.80 CES1 (0.33) ESR2
SCHEMBL14200209 0.80 CES1 (0.33) ESR2

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed