SCHEMBL14200280

SCHEMBL14200280

CCOC(=O)N(CC=C(C)C)CCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14200289 0.88 HCAR2 (0.30)
SCHEMBL14200283 0.84
SCHEMBL13633145 0.83 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10
SCHEMBL14229674 0.81 CA12 (0.39) ALDH1A1LMNAHSD17B10
SCHEMBL14200244 0.80 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL14200277 0.78 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL14201256 0.78 CA12 (0.36) ALDH1A1LMNAHSD17B10
SCHEMBL14200293 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14201257 0.76 CA12 (0.40) ALDH1A1
SCHEMBL14200270 0.74 CA12 (0.36) ALDH1A1

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