SCHEMBL7094909

SCHEMBL7094909

Cc1ccc(Nc2ccc(C(=O)c3ccccc3C(=O)O)c(O)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
AKR1C3 P42330 3/20 0.53
XDH P47989 3/20 0.52
SLC22A12 Q96S37 3/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
POLB P06746 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.46
AKR1C2 P52895 2/20 0.46

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
SCHEMBL9629955 0.91 ALDH1A1 (0.54) ALDH1A1AKR1C3XDHSLC22A12KMT2A
SCHEMBL7091072 0.89 KMT2A (0.57) ALDH1A1AKR1C3XDHSLC22A12KMT2A
SCHEMBL11736669 0.86 NR4A1 (0.53) ALDH1A1AKR1C3XDHSLC22A12KMT2A
SCHEMBL8012544 0.85 KMT2A (0.57) ALDH1A1XDHSLC22A12KMT2AMEN1
SCHEMBL7097760 0.84 MAPK13 (0.61) ALDH1A1AKR1C3KMT2AMEN1L3MBTL1
SCHEMBL12325927 0.84 ALDH1A1 (0.68) ALDH1A1AKR1C3KMT2AMEN1L3MBTL1
SCHEMBL11854080 0.81 MAPK13 (0.54) ALDH1A1AKR1C3KMT2AMAPK13MAPK12
SCHEMBL2000058 0.80 KMT2A (0.63) ALDH1A1XDHSLC22A12KMT2AMEN1
SCHEMBL17821172 0.79 KMT2A (0.59) ALDH1A1AKR1C3KMT2AMEN1L3MBTL1
SCHEMBL11736734 0.78 AURKA (0.58) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
EP-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
EP-0853078-B1 Purification process of keto acids CIBA SC HOLDING AG (CH) 2000-08-16 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
US-5917086-A Purification process CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-06-29 US disclosed
EP-0853078-A1 Purification process of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP disclosed
US-4052398-A DIAZARHODAMINE-LACTONES, THEIR MANUFACTURE AND THEIR USE AS DYE INTERMEDIATES FOR COPYING PROCESSES BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-3997541-A Lactones of the benzazaxanthene series and dye-forming components for duplication processes BASF AKTIENGESELLSCHAFT (DT) 1976-12-14 US disclosed
US-3931182-A Lactones of the diazaxanthene series, their production and their use as dye-forming components for copying methods BASF AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed