SCHEMBL8569751

SCHEMBL8569751

CC(OCC(Cl)(Cl)Cl)(OCC(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
CHRM2 P08172 2/20 0.38
CYP2C19 P33261 2/20 0.35
KIF11 P52732 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MCL1 Q07820 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL8570160 0.81 MAPK1 (0.43) MAPK1ALDH1A1TAAR1ALOX15CHRM2
SCHEMBL8566517 0.79 ALDH1A1 (0.46) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL9408952 0.78 TSHR (0.44) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL4544073 0.78 KIF11 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL1802466 0.76 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15CHRM2
SCHEMBL724358 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15CHRM2
SCHEMBL8718965 0.72 TSHR (0.38) MAPK1TSHRCYP2C19KIF11CYP1A2
SCHEMBL8718960 0.71 CYP1A2 (0.47) MAPK1TSHRTAAR1CYP2C19KIF11
SCHEMBL7647641 0.67 TSHR (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL204375 0.67 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15

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
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed