SCHEMBL10669014

SCHEMBL10669014

CCCCCCCCCCCCCCCCCCCCCCC(CC)COP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SGPL1 O95470 4/20 0.54
LPAR3 Q9UBY5 8/20 0.53
LPAR1 Q92633 6/20 0.53
LPAR2 Q9HBW0 2/20 0.53
SMPD1 P17405 3/20 0.53
LPAR5 Q9H1C0 1/20 0.53
PLA2G4A P47712 2/20 0.50
ENPP2 Q13822 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2150095 1.00 CYP3A4 (0.62) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL25170676 0.98 CYP3A4 (0.65) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL21681662 0.93 CYP3A4 (0.72) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL15966827 0.93 LPAR3 (0.57) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL9632719 0.93 LPAR3 (0.57) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL163886 0.93 CYP3A4 (0.72) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL22844447 0.93 LPAR3 (0.57) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL21141423 0.93 LPAR3 (0.57) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL21346930 0.93 LPAR3 (0.57) CYP3A4L3MBTL1SGPL1LPAR3LPAR1
SCHEMBL10781198 0.93 LPAR3 (0.57) CYP3A4L3MBTL1SGPL1LPAR3LPAR1

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-4751320-A EMULSIFIERS, HUMECTANTS KAO CORPORATION (JP) 1988-06-14 US disclosed