SCHEMBL28062888

SCHEMBL28062888

C=CC=CCOP(=O)(O)CCCCCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.48
LPAR3 Q9UBY5 8/20 0.44
LPAR2 Q9HBW0 4/20 0.44
LPAR1 Q92633 3/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL28985843 0.85 CETP (0.51) CETPLPAR3LPAR2LPAR1TSHR
SCHEMBL646400 0.83 CETP (0.49) CETPLPAR3LPAR2LPAR1TSHR
Ethyl Hydrogen Hexylphosphonate SCHEMBL28236698 0.77 CETP (0.57) CETPLPAR3LPAR2LPAR1
Ethyl Hydrogen Hexylphosphonate SCHEMBL27568146 0.75 CETP (0.56) CETPLPAR3LPAR2LPAR1
SCHEMBL2184539 0.75 PPARD (0.59) CETPLPAR3LPAR2LPAR1
SCHEMBL11604697 0.75 PPARD (0.59) CETPLPAR3LPAR2LPAR1
SCHEMBL11604665 0.75 PPARD (0.59) CETPLPAR3LPAR2LPAR1
SCHEMBL8070324 0.75 PPARD (0.59) CETPLPAR3LPAR2LPAR1
SCHEMBL503891 0.75 PPARD (0.59) CETPLPAR3LPAR2LPAR1
SCHEMBL28965496 0.75 PPARD (0.59) CETPLPAR3LPAR2LPAR1

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-105646312-A Beta-carotene synthesis process 吕艳 2016-06-08 CN disclosed