SCHEMBL882838

SCHEMBL882838

COC(=O)CC1(CCCCCCCCCCC2(C(=O)O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
TBXAS1 P24557 2/20 0.36
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL798177 0.85 TBXAS1 (0.38) CYP4F2CYP4A11TBXAS1CYP2C19
SCHEMBL773974 0.81 CYP2C19 (0.44) CYP4F2CYP4A11TBXAS1TSHRCYP2C19
SCHEMBL774169 0.81 CYP2C19 (0.44) CYP4F2CYP4A11TBXAS1TSHRCYP2C19
SCHEMBL773583 0.80 CYP4F2 (0.42) CYP4F2CYP4A11TBXAS1
SCHEMBL774105 0.78 CYP2C19 (0.46) CYP4F2CYP4A11TBXAS1TSHRCYP2C19
SCHEMBL882520 0.78 TBXAS1 (0.38) CYP4F2CYP4A11TBXAS1CYP2C19
SCHEMBL15686684 0.78 TBXAS1 (0.40) CYP4F2CYP4A11TBXAS1CYP2C19
SCHEMBL797961 0.78 CYP4F2 (0.69) CYP4F2CYP4A11TBXAS1CYP2C19
SCHEMBL14704292 0.77 L3MBTL1 (0.40) CYP4F2CYP4A11TSHRTP53
SCHEMBL13010603 0.77 CYP2C19 (0.45) CYP4F2CYP4A11TSHRTP53CYP2C19

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-2012040177-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2012-03-29 WO disclosed