SCHEMBL4447706

SCHEMBL4447706

CCC(CC)C(C)(Br)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
KIF11 P52732 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL28167356 0.78 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL10616009 0.78 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL2102121 0.77 KIF11 (0.33) TSHRALDH1A1CA2MAPK1KIF11
SCHEMBL2703456 0.76 LMNA (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8689396 0.74 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL1562024 0.74 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL2097975 0.70 FFAR3 (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL5478778 0.70
SCHEMBL6910163 0.70
SCHEMBL9710037 0.70 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761575-B1 GRADIENT COPOLYMER, COMPOSITION INCLUDING SAME AND COSMETIC MAKE-UP OR CARE METHOD OREAL (FR) 2009-08-19 EP disclosed
EP-1761575-A1 GRADIENT COPOLYMER, COMPOSITION INCLUDING SAME AND COSMETIC MAKE-UP OR CARE METHOD L'OREAL (FR) 2007-03-14 EP disclosed
WO-2006003317-A1 GRADIENT COPOLYMER, COMPOSITION INCLUDING SAME AND COSMETIC MAKE-UP OR CARE METHOD L'OREAL (FR) 2006-01-12 WO disclosed