SCHEMBL28547666

SCHEMBL28547666

CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)OCC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.55
ENPP2 Q13822 4/20 0.55
LPAR3 Q9UBY5 3/20 0.55
LPAR2 Q9HBW0 3/20 0.55
LPAR4 Q99677 2/20 0.55
LPAR5 Q9H1C0 2/20 0.55
CES2 O00748 1/20 0.55
LPAR6 P43657 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
FABP3 P05413 5/20 0.53
S1PR1 P21453 1/20 0.51

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
SCHEMBL340006 1.00 LPAR1 (0.55) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL21957629 0.96 LPAR1 (0.55) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL3888681 0.91 FABP3 (0.59) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL22802111 0.91 FABP3 (0.59) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL20484292 0.91 FABP3 (0.59) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL11576044 0.91 ENPP2 (0.49) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL503670 0.91 ENPP2 (0.49) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL504260 0.91 ENPP2 (0.49) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL2938334 0.90 P2RY10 (0.58) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL27652705 0.90 LPAR1 (0.59) LPAR1ENPP2LPAR3LPAR2LPAR4

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
CN-112384199-A Method and formulation for improving skin permeation lag time of roflumilast 阿尔库缇斯股份有限公司 2021-02-19 CN disclosed