SCHEMBL9320570

SCHEMBL9320570

CCCCN(CC(C)C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.83
KDM4E B2RXH2 1/20 0.83
POLB P06746 1/20 0.83
GAA P10253 1/20 0.83
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MCL1 Q07820 13/20 0.46
BCL2L1 Q07817 7/20 0.46
PTPN11 Q06124 1/20 0.38
PTPRO Q16827 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL267885 0.91 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL10722949 0.89 KMT2A (0.81) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL10933445 0.89 ALDH1A1 (0.95) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL11083623 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL3660975 0.87 ALDH1A1 (0.93) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL264913 0.86 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL3656127 0.86 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL3659209 0.86 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL11080174 0.85 ALDH1A1 (0.84) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL11083430 0.85 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBGAAMEN1

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
JP-3052850-A None JP disclosed
EP-0410206-B1 Fluoran compounds, crystalline toluene adducts thereof, recording material comprising same and process for their preparation MITSUI TOATSU CHEMICALS (JP) 1994-09-28 EP disclosed
US-5324704-A Supported chromogen layers for pressure or heat sensitive recording sheets MITSUI TOATSU CHEMICALS, INC. (JP) 1994-06-28 US disclosed
US-5220038-A FLUORAN COMPOUNDS, CRYSTALLINE TOLUENE ADDUCTS THEREOF, RECORDING MATERIAL COMPRISING SAME AND PROCESS FOR THEIR PREPARATION MITSUI TOATSU CHEMICALS, INC. (JP) 1993-06-15 US disclosed
JP-H0352850-A BENZOIC ACID DERIVATIVE AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1991-03-07 JP disclosed
EP-0410206-A1 Fluoran compounds, crystalline toluene adducts thereof, recording material comprising same and process for their preparation MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-01-30 EP disclosed