SCHEMBL13354516

SCHEMBL13354516

CNCCCNCC(O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
KISS1R Q969F8 1/20 0.32
PAOX Q6QHF9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9238486 0.82 KMT2A (0.38) PKMKISS1RPAOXKDM4EEPHX1
SCHEMBL20122197 0.80 TSHR (0.44) PKMEPHX1ALDH1A1
SCHEMBL22882292 0.77 PAOX (0.33) KISS1RPAOXEPHX1
SCHEMBL3348281 0.77 HRH4 (0.38) PKMKISS1RPAOXEPHX1ALDH1A1
SCHEMBL3016252 0.76 KISS1R (0.37) PKMKISS1RPAOXKDM4EEPHX1
SCHEMBL13354587 0.75 EPHX1 (0.44) KDM4EEPHX1
SCHEMBL4474067 0.75 MEN1 (0.31) KDM4EALDH1A1
SCHEMBL21905669 0.75 ANPEP (0.42) PAOX
SCHEMBL9051445 0.75 MEN1 (0.31) KDM4EALDH1A1
SCHEMBL12977299 0.74 PKM (0.39) PKMPAOXKDM4EEPHX1ALDH1A1

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
WO-2010053572-A2 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-05-14 WO disclosed