SCHEMBL6536100

SCHEMBL6536100

COc1ccc(OCCC(=O)O)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
THRB P10828 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 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
SCHEMBL2988803 0.84 LMNA (0.66) LMNAALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL4612728 0.84 PTGDR2 (0.57) LMNAALDH1A1MAPTMEN1THRB
SCHEMBL6253679 0.83 PTGS1 (0.58) LMNAALDH1A1MAPTMEN1THRB
SCHEMBL3991925 0.82 MAPT (0.55) LMNAALDH1A1MAPTMEN1THRB
SCHEMBL21156320 0.82 L3MBTL1 (0.43) LMNAHSD17B10L3MBTL1MCL1SMN1; SMN2
Sebacic Acid SCHEMBL11824397 0.82 ALDH1A1 (0.62) LMNAALDH1A1MAPTMEN1THRB
SCHEMBL6580327 0.82 MRGPRX4 (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL16193425 0.81 TSHR (0.50) CYSLTR2CYSLTR1FFAR1FFAR4
SCHEMBL7523915 0.81 TSHR (0.58) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL10791590 0.81 USP2 (0.57) LMNAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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