SCHEMBL809896

SCHEMBL809896

BCCCCCC(c1ccc(C)c(Cl)c1)(c1ccc(C)c(Cl)c1)c1ccc(C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.41
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
EPHX2 P34913 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 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
Tetramethylammonium Ion SCHEMBL1263431 0.80 KIF11 (0.38) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31598945 0.77 KIF11 (0.36) KIF11CYP3A4CYP2C9CYP2C19
SCHEMBL1768493 0.77 KIF11 (0.36) KIF11CYP3A4CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL21751207 0.76 KIF11 (0.35) KIF11CYP2C9CYP2C19
Tetrabuthylammonium SCHEMBL810739 0.74 EPHX2 (0.35) KIF11CYP2C9CYP2C19KCNH2EPHX2
SCHEMBL4957728 0.73 KIF11 (0.59) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31697966 0.73 KIF11 (0.38) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810137 0.67 KIF11 (0.57) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL809990 0.67 KCNN4 (0.39) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL799977 0.67 CYP3A4 (0.48) CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043502-B1 PHOTOPOLYMERIZABLE HOE COMPOSITION XETOS AG (DE) 2023-10-04 EP claimed
EP-4043961-B1 2K SYSTEM XETOS AG (DE) 2023-08-16 EP claimed
EP-4043963-B1 IMPROVED BLEACHING XETOS AG (DE) 2023-07-05 EP claimed
EP-2218745-B1 Prepolymer-based polyurethane formulations for producing holographic films BAYER MATERIALSCIENCE AG (DE) 2011-11-23 EP claimed