SCHEMBL13354585

SCHEMBL13354585

CCCCCCCCCCCCC(C)C(O)CNCCOCCOCCNCC(O)C(C)CCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.40
HTT P42858 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
ABCB1 P08183 1/20 0.35
CYP2D6 P10635 2/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL16919616 0.94 SPHK1 (0.36) SPHK1HTTMEN1KMT2AMAPT
SCHEMBL16919617 0.94 SPHK1 (0.36) SPHK1HTTMEN1KMT2AMAPT
SCHEMBL13354382 0.93 SPHK1 (0.41) SPHK1HTTMEN1KMT2AMAPT
SCHEMBL13354512 0.93 SPHK1 (0.35) SPHK1HTTMEN1KMT2AMAPT
SCHEMBL14979146 0.93 SPHK1 (0.35) SPHK1HTTMEN1KMT2AMAPT
SCHEMBL30858317 0.81 FFAR4 (0.42) HTTMEN1KMT2AMAPTTHRB
SCHEMBL16919597 0.80 SPHK1 (0.31) SPHK1
SCHEMBL16919596 0.80 SPHK1 (0.31) SPHK1
SCHEMBL13354587 0.79 EPHX1 (0.44) SPHK1HTTMAPTCYP2D6ADH1B
SCHEMBL13354383 0.79 SPHK1 (0.49) SPHK1HTTMAPTCYP2D6ADH1B

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