SCHEMBL11094073

SCHEMBL11094073

CC(C)C(O)C(C)(C)COS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4812795 0.76 KDM4E (0.33) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4812791 0.76 KDM4E (0.33) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4812784 0.76 KDM4E (0.33) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4353683 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL21939081 0.72 PSMB1 (0.35) ALDH1A1LMNATSHR
SCHEMBL15412274 0.71 TRPA1 (0.37) TRPA1ALDH1A1LMNATSHR
SCHEMBL21404160 0.71 KDM4E (0.32) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL24851860 0.70 TRPA1 (0.39) TRPA1
SCHEMBL783208 0.69 TRPA1 (0.36) TRPA1ALDH1A1LMNAALOX15TSHR
SCHEMBL56321 0.69 TRPA1 (0.36) TRPA1ALDH1A1LMNA

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
US-4477618-A CROSSLINKING AN ACTIVE HYDROGEN-CONTAINING RESIN BLEND BY BAKING; STORAGE STABILITY PPG INDUSTRIES, INC. (US) 1984-10-16 US disclosed