SCHEMBL9703841

SCHEMBL9703841

CCC(C=CC(N)=O)(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FGFR4 P22455 1/20 0.35
DDAH1 O94760 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
SCHEMBL3229801 0.78 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL6449921 0.77 TSHR (0.40) TSHR
SCHEMBL27972724 0.77 TSHR (0.40) TSHR
SCHEMBL528104 0.77 ALDH1A1 (0.36) ALDH1A1TSHRFGFR4
SCHEMBL21052142 0.75 ALDH1A1 (0.31) ALDH1A1TSHRFGFR4
SCHEMBL887078 0.75 ALDH1A1 (0.31) ALDH1A1TSHRFGFR4
SCHEMBL179550 0.70
SCHEMBL939802 0.70
SCHEMBL10701256 0.70 LMNA (0.39) ALDH1A1TSHRFGFR4
Alcohol SCHEMBL5391049 0.69 ALDH1A1 (0.40) ALDH1A1TSHRFGFR4DDAH1

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-1992013014-A1 HAIR FIXATIVE POLYMERS ISP INVESTMENTS INC. (US) 1992-08-06 WO disclosed