SCHEMBL6687742

SCHEMBL6687742

CCCCC(CC)(COP(O)O)C(O)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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 0.85 NR5A2 (0.34) NR5A2NR5A1
SCHEMBL1032615 0.78 ALDH1A1 (0.30)
SCHEMBL6224852 0.78 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL727871 0.75 NR5A2 (0.30) NR5A2NR5A1
SCHEMBL27903878 0.74 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29662031 0.74 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL28108888 0.73 ASAH1 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5474293 0.73 NR5A2 (0.32) NR5A2NR5A1
SCHEMBL30693730 0.73 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL27947568 0.73 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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
WO-2004111158-A1 PHOSPHITE STABILIZERS AND METHODS TO PREPARATION AND POLYMER COMPOSITION THEREOF CHEMTURA CORPORATION (US) 2004-12-23 WO claimed
WO-2004111158-A1 PHOSPHITE STABILIZERS AND METHODS TO PREPARATION AND POLYMER COMPOSITION THEREOF CHEMTURA CORPORATION (US) 2004-12-23 WO disclosed