SCHEMBL1755475

SCHEMBL1755475

Cc1ccc(OCC(O)CO)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 1/20 0.53
AGTR1 P30556 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
VDR P11473 7/20 0.46
AR P10275 7/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP2C19 P33261 1/20 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
SCHEMBL10635979 0.87 ALDH1A1 (0.49) KDM4EALDH1A1CYP3A4NPSR1CYP2C19
SCHEMBL462467 0.83 KDM4E (0.49) CYP1A2KDM4EAGTR1LMNAALDH1A1
SCHEMBL1755485 0.83 CYP2C19 (0.61) LMNAALDH1A1CYP3A4NPSR1CYP2C19
SCHEMBL10629682 0.82 TSHR (0.51) CYP1A2KDM4EAGTR1LMNAVDR
SCHEMBL14934293 0.82 CYP1A2 (0.54) CYP1A2KDM4EAGTR1LMNAVDR
SCHEMBL27940560 0.82 CYP1A2 (0.46) CYP1A2KDM4EAGTR1LMNAVDR
Hydrochloric Acid SCHEMBL11357598 0.82 KDM4E (0.51) CYP1A2KDM4EAGTR1LMNAALDH1A1
SCHEMBL10631964 0.81 TSHR (0.59) CYP1A2KDM4EAGTR1LMNAALDH1A1
SCHEMBL12505501 0.81 CYP1A2 (0.46) CYP1A2KDM4EAGTR1LMNAALDH1A1
SCHEMBL12505452 0.81 CYP1A2 (0.46) CYP1A2KDM4EAGTR1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899418-B1 Disazo dyes and dye compositions for shading white paper BASF SE (DE) 2012-04-18 EP disclosed
US-7960521-B2 Azo dyes, compositions for anisotropic dye films using them, anisotropic dye films and polarizing elements MITSUBISHI CHEMICAL CORPORATION (JP) 2011-06-14 US disclosed
US-7682406-B2 Disazo dyes and dye compositions for shading white paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-7682406-B2 Disazo dyes and dye compositions for shading white paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-20090267031-A1 AZO DYE, COMPOSITION CONTAINING THE SAME FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM, AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-29 US disclosed
US-20090083913-A1 Disazo Dyes and Dye Compositions for Shading White Paper CIBA SPECIALTY CHEMICALS CORP. 2009-04-02 US disclosed
US-20090083913-A1 Disazo Dyes and Dye Compositions for Shading White Paper CIBA SPECIALTY CHEMICALS CORP. 2009-04-02 US disclosed
WO-2007003524-A1 DISAZO DYES AND DYE COMPOSITIONS FOR SHADING WHITE PAPER CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 WO disclosed
US-4749784-A Alkanol substituted disazo orange dye for nylon CROMPTON & KNOWLES CORPORATION (US) 1988-06-07 US disclosed
EP-0194377-A2 Disazo orange dyes for nylon CROMPTON & KNOWLES CORPORATION (US) 1986-09-17 EP disclosed