SCHEMBL21052142

SCHEMBL21052142

CCC(C)(C)C(C)(C)/C=C/C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
FGFR4 P22455 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
SCHEMBL887078 1.00 ALDH1A1 (0.31) ALDH1A1TSHRFGFR4
SCHEMBL9226787 0.80 HCAR2 (0.35) ALDH1A1TSHR
SCHEMBL3229801 0.77 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL9703841 0.75 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4
SCHEMBL179550 0.71
SCHEMBL939802 0.71
SCHEMBL10701256 0.70 LMNA (0.39) ALDH1A1TSHRFGFR4
SCHEMBL15711296 0.68 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL18043219 0.68 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL18043216 0.68 ALOX15 (0.34)

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-2019109243-A1 Cosmetic composition for permanently changing the shape of keratinous fibers HENKEL AG & CO.KGAA (DE) 2019-06-13 WO disclosed