SCHEMBL13354518

SCHEMBL13354518

CCCCCCCCCCCCCCC(C)C(O)CNCCCN(C)CC(O)C(C)CCCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.38
SPHK1 Q9NYA1 3/20 0.37
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
LMNA P02545 2/20 0.33
CYP2D6 P10635 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL13354589 0.91 GGPS1 (0.35) GGPS1SPHK1ANPEPERAP2LMNA
SCHEMBL12977302 0.91 GGPS1 (0.35) GGPS1SPHK1ANPEPERAP2LMNA
SCHEMBL12977313 0.91 GGPS1 (0.35) GGPS1SPHK1ANPEPERAP2LMNA
SCHEMBL12977305 0.85 EPHX1 (0.41) GGPS1SPHK1LMNACYP2D6PLA2G1B
SCHEMBL12977314 0.85 EPHX1 (0.41) GGPS1SPHK1LMNACYP2D6PLA2G1B
SCHEMBL16500373 0.82 SPHK1 (0.36) GGPS1SPHK1GPR84FFAR1
SCHEMBL16919615 0.82 SPHK1 (0.36) GGPS1SPHK1ANPEPERAP2LMNA
SCHEMBL13354385 0.81 SPHK1 (0.41) GGPS1SPHK1ANPEPERAP2LMNA
SCHEMBL12976837 0.81 SPHK1 (0.35) GGPS1SPHK1ANPEPERAP2LMNA
SCHEMBL13354587 0.79 EPHX1 (0.44) SPHK1ANPEPERAP2LMNACYP2D6

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