SCHEMBL6998622

SCHEMBL6998622

CCCC(CC)CC(O)Cc1cccc(C(=O)c2ccccc2C(=O)O)c1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CDC25B P30305 1/20 0.35
POLB P06746 2/20 0.34
CLCN2 P51788 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
ADORA1 P30542 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6998637 0.94 ALDH1A1 (0.41) KMT2ACYP3A4CYP2C9POLBLMNA
SCHEMBL7001198 0.88 KMT2A (0.39) KMT2ACYP3A4CYP2C9CDC25BPOLB
SCHEMBL7002462 0.83 ALDH1A1 (0.40) KMT2ACYP3A4CYP2C9CDC25BPOLB
SCHEMBL6996847 0.83 ALDH1A1 (0.45) KMT2ACYP3A4CYP2C9POLBALDH1A1
SCHEMBL7766574 0.77 KMT2A (0.45) KMT2ACYP3A4CYP2C9CDC25BPOLB
SCHEMBL7102374 0.73 ALDH1A1 (0.47) KMT2ACYP3A4CLCN2LMNAALDH1A1
SCHEMBL31368262 0.73 ALDH1A1 (0.47) KMT2ACYP3A4CLCN2LMNAALDH1A1
SCHEMBL2302249 0.70 G6PD (0.47) KMT2APOLBCLCN2ABCB11LMNA
SCHEMBL8984850 0.68 G6PD (0.49) KMT2APOLBCLCN2ABCB11LMNA
SCHEMBL4668472 0.67 FOLH1 (0.44) KMT2ACYP3A4POLBCLCN2ALDH1A1

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 12 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-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
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
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