SCHEMBL10697055

SCHEMBL10697055

C=CCOP(=O)(O)CCCO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
CETP P11597 3/20 0.30

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
SCHEMBL10698203 0.82 PPARD (0.39) PPARDLPAR2LPAR3
SCHEMBL646400 0.81 CETP (0.49) LPAR2LPAR3TSHRCETP
SCHEMBL28985843 0.79 CETP (0.51) LPAR2LPAR3TSHRCETP
SCHEMBL27809982 0.77 LPAR2 (0.35) PPARDLPAR2LPAR3
SCHEMBL22639044 0.74 PPARD (0.36) PPARDLPAR2LPAR3TSHR
SCHEMBL5136434 0.74 LPAR3 (0.43) LPAR2LPAR3
SCHEMBL3278680 0.74 TSHR (0.46) LPAR2LPAR3PKMSMN1; SMN2TSHR
SCHEMBL436759 0.74 LPAR2 (0.36) LPAR2LPAR3
SCHEMBL4410387 0.74
SCHEMBL11667403 0.73 MEN1 (0.41) LPAR2LPAR3PKMSMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0271170-A2 Herbicidal substituted benzofurans and benzopyrans SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-15 EP disclosed
EP-0254774-A1 Method for controlling phosphonates tending to precipitate metal ions in water DENAC N.V. (BE) 1988-02-03 EP disclosed