SCHEMBL8046599

SCHEMBL8046599

O=C(c1ccccc1)c1ccc(OCCCCCCBr)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTB4R Q15722 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL9553073 1.00 PPARA (0.51) PPARAPPARGPPARDTHRATHRB
SCHEMBL8045645 0.89 KDM4E (0.50) PPARDTHRATHRBHPGDKDM4E
SCHEMBL8902445 0.88 THRA (0.46) PPARAPPARGPPARDTHRATHRB
SCHEMBL9365209 0.85 KDM4E (0.61) PPARAPPARGPPARDTHRATHRB
SCHEMBL9364450 0.84 CYP1A2 (0.49) PPARATHRATHRBMRGPRX4HPGD
SCHEMBL9162800 0.83 PLAU (0.50) PPARAPPARGPPARDMRGPRX4HPGD
SCHEMBL25780651 0.82 THRA (0.50) THRATHRBMRGPRX4KDM4ETDP1
SCHEMBL25781022 0.82 THRA (0.50) THRATHRBMRGPRX4KDM4ETDP1
SCHEMBL9360180 0.81 MAPT (0.52) THRATHRBMRGPRX4HPGDTDP1
SCHEMBL9428385 0.80 ACHE (0.49) PPARATHRATHRBMRGPRX4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7053479-A None JP disclosed
EP-0994866-A1 5-(3-PHENYL-3-OXO-PROPYL)-1H-TETRAZOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-04-26 EP disclosed
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP disclosed
WO-1999002506-A1 5-(3-PHENYL-3-OXO-PROPYL)-1H-TETRAZOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-21 WO disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
JP-H0753479-A USE OF PHENALKYL AMINE F HOFFMANN LA ROCHE AG 1995-02-28 JP disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 EP disclosed
EP-0410359-B1 Substituted aminoalkoxy-benzene-derivatives HOFFMANN LA ROCHE (CH) 1994-01-26 EP disclosed
US-5214046-A Synergistic mixtures, inhibitors of sterol biosynthesis HOFFMANN-LA ROCHE INC. (US) 1993-05-25 US disclosed
US-5106878-A Synergistic effects with other fungicides HOFFMANN-LA ROCHE INC. (US) 1992-04-21 US disclosed
EP-0410359-A1 Substituted aminoalkoxy-benzene-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed