SCHEMBL13354522

SCHEMBL13354522

CCCCCCCCCCC(C)C(O)CNCCN(CCN)CCNCC(O)C(C)CCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.42
CYP2D6 P10635 2/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 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
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 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
SCHEMBL13354519 1.00 SPHK1 (0.42) SPHK1CYP2D6PLA2G1BPLA2G2AGMNN
SCHEMBL12977331 0.95 SPHK1 (0.39) SPHK1CYP2D6PLA2G1BPLA2G2AGMNN
SCHEMBL12977340 0.94 SPHK1 (0.38) SPHK1CYP2D6PLA2G1BPLA2G2AGMNN
SCHEMBL16500375 0.91 SPHK1 (0.38) SPHK1CYP2D6PLA2G1BPLA2G2AGMNN
SCHEMBL13354385 0.88 SPHK1 (0.41) SPHK1CYP2D6PLA2G1BPLA2G2AGMNN
SCHEMBL12977339 0.86 SPHK1 (0.36) SPHK1CYP2D6PLA2G1BPLA2G2AGMNN
SCHEMBL13354383 0.84 SPHK1 (0.49) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL16919611 0.84 SPHK1 (0.34) SPHK1ADRB2ADRB1
SCHEMBL12977338 0.83 SPHK1 (0.33) SPHK1
SCHEMBL12977356 0.81 SPHK1 (0.32) SPHK1PLA2G1BPLA2G2AADRB2ADRB1

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