SCHEMBL31376159

SCHEMBL31376159

CCC(Cl)C(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
FFAR3 O14843 1/20 0.30
TP53 P04637 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
SCHEMBL2703456 0.76 LMNA (0.33) CA2MAPK1LMNACYP2C9HSD17B10
SCHEMBL1707381 0.75 LMNA (0.36) LMNATSHRALDH1A1FFAR3TP53
SCHEMBL10794078 0.75 DGAT1 (0.35) CA2MAPK1CYP2C9
SCHEMBL8689396 0.74 TSHR (0.38) CA2MAPK1CYP2C9HSD17B10TSHR
SCHEMBL1707223 0.73 LMNA (0.35) LMNA
SCHEMBL1158338 0.73
SCHEMBL1572815 0.72 TSHR (0.36) CA2MAPK1CYP2C9HSD17B10TSHR
SCHEMBL3646440 0.72 TSHR (0.50) CA2MAPK1CYP2C9HSD17B10TSHR
SCHEMBL5369984 0.72 TSHR (0.36) CA2MAPK1CYP2C9HSD17B10TSHR
SCHEMBL3391927 0.72 SLC1A2 (0.38) CA2MAPK1CYP2C9HSD17B10TSHR

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
CN-119504436-A Improved preparation method of gemfibrozil intermediate 山东精进药业有限公司 2025-02-25 CN disclosed