SCHEMBL27552012

SCHEMBL27552012

CC(C)CCC(C)(C)C(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PRKCA P17252 1/20 0.35
CCR2 P41597 1/20 0.33
MMP8 P22894 1/20 0.33
CA1 P00915 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23567183 0.87 TSHR (0.36) TSHRCYP4F2CYP4A11ALDH1A1PRKCA
SCHEMBL28871526 0.84 CA12 (0.39) CYP4F2CYP4A11ALDH1A1CCR2MMP8
SCHEMBL6892121 0.84 CYP4F2 (0.42) TSHRCYP4F2CYP4A11ALDH1A1PRKCA
SCHEMBL22950894 0.82 TSHR (0.38) TSHRCYP4F2CYP4A11ALDH1A1PRKCA
SCHEMBL131466 0.82 TSHR (0.42) TSHRCYP4F2CYP4A11ALDH1A1PRKCA
SCHEMBL21757419 0.82 TSHR (0.38) TSHRCYP4F2CYP4A11ALDH1A1PRKCA
SCHEMBL233821 0.82 TSHR (0.41) TSHRALDH1A1PRKCAMMP8CA1
SCHEMBL10496506 0.81 CCR2 (0.38) CYP4F2CYP4A11CCR2MMP8CA1
SCHEMBL1908743 0.81 CYP4F2 (0.43) TSHRCYP4F2CYP4A11ALDH1A1PRKCA
SCHEMBL1911530 0.81 CYP4F2 (0.47) TSHRCYP4F2CYP4A11ALDH1A1PRKCA

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
CN-1190477-C Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2005-02-23 CN disclosed
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN disclosed