SCHEMBL7751653

SCHEMBL7751653

[K]C(CCC([K])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KIF11 P52732 4/20 0.41
TAAR1 Q96RJ0 1/20 0.39
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL3901972 0.80 KCNN4 (0.39) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL297878 0.71 KCNN4 (0.47) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL1149158 0.69 KIF11 (0.64) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL1243336 0.67 MAPK1 (0.50) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL8210946 0.67 KCNN4 (0.43) KCNN4TSHRALDH1A1TAAR1CYP2C19
SCHEMBL25200051 0.65 CYP2C9 (0.54) KCNN4KIF11TAAR1CYP2C19CYP1A2
SCHEMBL3368788 0.65 TAAR1 (0.64) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL27855411 0.65 KCNN4 (0.41) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL50795 0.65 KCNN4 (0.41) KCNN4TSHRALDH1A1KIF11TAAR1
SCHEMBL2125552 0.65 KCNN4 (0.41) KCNN4TSHRALDH1A1KIF11TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271324-B1 ANIONIC POLYMERIZATION OF ACRYLATES, ORGANO ALKALI METAL COMPOUNDS, ORGANO ALUMINUM COMPOUNDS AND ADDITIVES TO FORM COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
EP-0941256-B1 METHOD FOR PREPARING POLYACRYL(METH)ACRYLATES BASF AG (DE) 2001-01-24 EP disclosed
EP-0821015-B1 Process for preparing polyacrylates BASF AG (DE) 1999-10-20 EP disclosed
US-5830961-A USING PROMOTER MIXTURE OF ALKALI METAL ESTER ENOLATE AND ORGANOALUMINUM COMPOUNDS/UND/ BASF AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0821015-A1 Process for preparing polyacrylates BASF AKTIENGESELLSCHAFT (DE) 1998-01-28 EP disclosed