SCHEMBL8934753

SCHEMBL8934753

CCC(O)(CCCO)C(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
ARG2 P78540 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
PPARA Q07869 1/20 0.31
ARG1 P05089 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
SCHEMBL7679376 0.85 TSHR (0.36) ALDH1A1TSHRGPR84FFAR1FFAR4
SCHEMBL6598371 0.82 ALDH1A1 (0.45) ALDH1A1TSHRARG2FFAR1MEN1
SCHEMBL13504567 0.75 TSHR (0.43) CYP4F2CYP4A11ALDH1A1TSHRARG2
SCHEMBL5948432 0.75 TSHR (0.43) CYP4F2CYP4A11ALDH1A1TSHRARG2
SCHEMBL28133882 0.75 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1TSHRARG2
SCHEMBL2919376 0.75 TSHR (0.43) CYP4F2CYP4A11ALDH1A1TSHRARG2
SCHEMBL12801895 0.74 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1TSHRARG2
Ammonia Solution, Strong SCHEMBL28071854 0.74 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1TSHRARG2
SCHEMBL31280022 0.73 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1TSHRARG2
SCHEMBL2919738 0.73 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1TSHRARG2

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