SCHEMBL8934754

SCHEMBL8934754

CCC(O)C(C)(C)C(=O)OCCCO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
TSHR P16473 1/20 0.35
ACHE P22303 6/20 0.33
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 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
SCHEMBL27895587 0.79 TSHR (0.42) CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL8405117 0.75 CYP4F2 (0.50) CYP4F2CYP4A11TSHRALDH1A1PTGS1
SCHEMBL2531853 0.74 CYP4F2 (0.47) CYP4F2CYP4A11ACHEALDH1A1
SCHEMBL25697373 0.73 CYP4F2 (0.43) CYP4F2CYP4A11TSHRACHEALDH1A1
SCHEMBL2754859 0.73 CYP4F2 (0.52) CYP4F2CYP4A11TSHRACHEALDH1A1
SCHEMBL3735208 0.73 CYP4F2 (0.43) CYP4F2CYP4A11TSHRACHEALDH1A1
Ammonia Solution, Strong SCHEMBL28726822 0.72 CYP4F2 (0.46) CYP4F2CYP4A11ACHEALDH1A1
SCHEMBL106426 0.71 CYP4F2 (0.40) CYP4F2CYP4A11ACHEALDH1A1
SCHEMBL11368901 0.71 CYP4F2 (0.48) CYP4F2CYP4A11ACHEALDH1A1PTGS1
SCHEMBL13829122 0.70 CYP4F2 (0.41) CYP4F2CYP4A11ACHEALDH1A1

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-1996029371-A1 WATERBORNE COATING COMPOSITIONS HAVING IMPROVED SMOOTHNESS PPG INDUSTRIES, INC. (US) 1996-09-26 WO disclosed