SCHEMBL11560959

SCHEMBL11560959

CCCCCCCC/C=C\CCCCCCCCON(C(C)O)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 2/20 0.47
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 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
SCHEMBL27887690 0.89 SPHK1 (0.46) LPAR2LPAR3LPAR1
SCHEMBL5188138 0.89 SPHK1 (0.46) LPAR2LPAR3LPAR1
SCHEMBL28205599 0.80 LPAR3 (0.55) LPAR2LPAR3LPAR1ALDH1A1CNR1
SCHEMBL11877146 0.77 ALDH1A1 (0.57) LPAR2LPAR3LPAR1ALDH1A1CNR1
SCHEMBL3751817 0.77 ALDH1A1 (0.57) LPAR2LPAR3LPAR1ALDH1A1CNR1
SCHEMBL11851109 0.74 LPAR1 (0.56) LPAR2LPAR3LPAR1
SCHEMBL3433294 0.74 ALDH1A1 (0.63) LPAR2LPAR3LPAR1ALDH1A1CNR1
SCHEMBL16390398 0.73 EPHX2 (0.48)
SCHEMBL27861152 0.72 HSD17B10 (0.42)
SCHEMBL18134817 0.72 ALDH1A1 (0.56) LPAR2LPAR3LPAR1ALDH1A1CNR1

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
US-4138270-A FLAKES, FATTY ACID, FATTY ACID ALKANOLAMIDE; STORAGE STABLE, USED AS FOAMING AGENT FOR LIGHTWEIGHT FOAMED CONCRETE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-02-06 US disclosed