SCHEMBL28118089

SCHEMBL28118089

CCC(C)CCC(C)COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
TSHR P16473 7/20 0.57
MAPT P10636 1/20 0.54
CYP3A4 P08684 3/20 0.54
CA2 P00918 1/20 0.54
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL27891835 0.92 MAPT (0.62) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL29030183 0.90 ALDH1A1 (0.64) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL30493160 0.90 ALDH1A1 (0.64) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL26606869 0.90 ALDH1A1 (0.58) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL19690526 0.87 ALDH1A1 (0.63) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL27908787 0.87 ALDH1A1 (0.56) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL4452946 0.86 TSHR (0.70) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL27891834 0.86 ALDH1A1 (0.69) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL7759401 0.85 ALDH1A1 (0.71) ALDH1A1TSHRMAPTCYP3A4CA2
SCHEMBL28117482 0.85 ALDH1A1 (0.71) ALDH1A1TSHRMAPTCYP3A4CA2

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-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed