SCHEMBL4612653

SCHEMBL4612653

CCCCOc1ccc(OCC(=O)O)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
PLA2G4B P0C869 3/20 0.54
PPARG P37231 7/20 0.53
PPARD Q03181 7/20 0.53
PPARA Q07869 5/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.48
FFAR1 O14842 1/20 0.48
CYSLTR2 Q9NS75 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL4613487 0.94 PPARD (0.50) TSHRPLA2G4BPPARGPPARDPPARA
SCHEMBL3277901 0.84 CYP1A2 (0.61) TSHRALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL4612728 0.83 PTGDR2 (0.57) PPARDPTGDR2FFAR1ALDH1A1LMNA
SCHEMBL16193425 0.80 TSHR (0.50) TSHRPPARGPPARAFFAR1CYSLTR2
SCHEMBL5429541 0.79 PLA2G4B (0.68) TSHRPLA2G4BALDH1A1LMNA
SCHEMBL5434776 0.78 PLA2G4B (0.81) TSHRPLA2G4BPPARGPPARDPPARA
SCHEMBL14038429 0.78 ALDH1A1 (0.61) TSHRALDH1A1L3MBTL1LMNACYP1A2
SCHEMBL8417912 0.77 MAPT (0.68) ALDH1A1LMNACYP1A2MAPTCYP2C9
SCHEMBL4256831 0.77 PTPN11 (0.55) TSHRPLA2G4B
SCHEMBL4613242 0.76 PTGDR2 (0.60) TSHRPTGDR2FFAR1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320573-B1 BLACK AZO DYES LEXMARK INT INC (US) 2008-02-20 EP disclosed
EP-1320573-A4 BLACK AZO DYES LEXMARK INT INC (US) 2004-07-28 EP disclosed
EP-1320573-A1 BLACK AZO DYES Lexmark International, Inc. (US) 2003-06-25 EP disclosed
US-6451989-B1 INK COMPOSITIONS; BENZENE AND NAPHTHALENE DERIVATIVES LEXMARK INTERNATIONAL, INC. 2002-09-17 US disclosed
US-20020049309-A1 Black azo dyes FUNAI ELECTRIC CO., LTD (JP) 2002-04-25 US disclosed
WO-2002016502-A1 BLACK AZO DYES LEXMARK INTERNATIONAL, INC. (US) 2002-02-28 WO disclosed
US-6288217-B1 DISAZO DYES LEXMARK INTERNATIONAL, INC. 2001-09-11 US disclosed