SCHEMBL4300775

SCHEMBL4300775

[CH2]C(COCCCCCCCC/C=C\C/C=C\CCC)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
LPAR1 Q92633 2/20 0.45
LPAR3 Q9UBY5 2/20 0.45

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
SCHEMBL15319711 0.97 ALDH1A1 (0.55) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL21248514 0.97 ALDH1A1 (0.55) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL20573193 0.93 LPAR1 (0.50) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL994359 0.93 LPAR1 (0.50) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL1395273 0.83 ALDH1A1 (0.69) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4304757 0.83 ALDH1A1 (0.51) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL31549524 0.83 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL2839409 0.83 USP2 (0.50) LPAR1LPAR3
SCHEMBL2835919 0.83 USP2 (0.50) LPAR1LPAR3
SCHEMBL11572401 0.83 USP2 (0.50) LPAR1LPAR3

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-2009129395-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO claimed