SCHEMBL3687683

SCHEMBL3687683

CCCCC(CC)(C(OP(O)O)OP(O)O)C(O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
RXRA P19793 1/20 0.30
PPARG P37231 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
SCHEMBL496786 0.76 NR5A2 (0.34) NR5A2NR5A1RXRAPPARG
SCHEMBL496787 0.74 NR5A2 (0.34) NR5A2NR5A1RXRAPPARG
SCHEMBL496750 0.74 NR5A2 (0.32) NR5A2NR5A1RXRAPPARG
SCHEMBL3894057 0.72 NR5A2 (0.36) NR5A2NR5A1RXRAPPARG
SCHEMBL768988 0.68 NR5A2 (0.36) NR5A2NR5A1RXRAPPARG
Phosphoric Acid SCHEMBL768989 0.68 NR5A2 (0.38) NR5A2NR5A1RXRAPPARG
SCHEMBL29758819 0.67 CYP1A2 (0.32)
SCHEMBL1032615 0.67 ALDH1A1 (0.30)
SCHEMBL5994632 0.66 CYP2C19 (0.34) NR5A2NR5A1RXRAPPARG
SCHEMBL28482986 0.66 NR5A2 (0.43) NR5A2NR5A1

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
WO-2010060799-A1 SOLUTION PROCESS FOR THE OLEFINS POLYMERIZATION BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-06-03 WO claimed