SCHEMBL10895615

SCHEMBL10895615

C=CCOP(=O)(CCP(=O)(O)O)OCC=C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PPARD Q03181 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 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
SCHEMBL7588815 0.89 PPARD (0.32) LPAR2LPAR3ALDH1A1PPARDPKM
SCHEMBL11737224 0.80 PPARD (0.52) LPAR2LPAR3PPARDPKMSMN1; SMN2
SCHEMBL4449308 0.77
SCHEMBL10698203 0.77 PPARD (0.39) LPAR2LPAR3PPARD
SCHEMBL12150478 0.76
SCHEMBL28628823 0.76 PPARD (0.37) PPARDCYP3A4
SCHEMBL11309993 0.75 PKM (0.38) PKMSMN1; SMN2LMNANFKB1BLM
SCHEMBL8763978 0.75 LPAR2 (0.33) LPAR2LPAR3PPARD
SCHEMBL9055105 0.74 LPAR2 (0.34) LPAR2LPAR3
SCHEMBL15847030 0.74 LPAR3 (0.50) LPAR2LPAR3BLM

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-4576973-A ADSORBENT BEAD CASSELLA AKTIENGESELLSCHAFT (DE) 1986-03-18 US disclosed