SCHEMBL15031025

SCHEMBL15031025

C=CC(CO)CCCC(CCC)CCC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.33

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
SCHEMBL6247367 0.83
SCHEMBL2398492 0.83
SCHEMBL27674852 0.81 LMNA (0.48) ALDH1A1LMNATSHR
SCHEMBL28323853 0.79 LMNA (0.52) ALDH1A1LMNATSHR
SCHEMBL8583831 0.79 LMNA (0.52) ALDH1A1LMNATSHR
SCHEMBL4591910 0.79 LMNA (0.52) ALDH1A1LMNATSHR
SCHEMBL17194868 0.75 ALDH1A1 (0.56) ALDH1A1LMNATSHR
SCHEMBL20045116 0.75 ALDH1A1 (0.56) ALDH1A1LMNATSHR
SCHEMBL14700022 0.75 LMNA (0.64) ALDH1A1LMNATSHR
SCHEMBL17195054 0.75 ALDH1A1 (0.56) ALDH1A1LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465672-B2 Tetrahydropyran compounds MERCK PATENT GMBH (DE) 2013-06-18 US disclosed