SCHEMBL7003535

SCHEMBL7003535

COc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.49
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
CALM1 P0DP23 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
LTA4H P09960 1/20 0.44
GAA P10253 1/20 0.44
G6PC1 P35575 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAOB P27338 1/20 0.42
ACHE P22303 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10982089 0.88 GAA (0.47) GAA
SCHEMBL9634621 0.84 ALOX5 (0.45) LTA4HGAAMAOB
SCHEMBL11777003 0.81 ALDH1A1 (0.49) NR3C1TSHRMAPK1L3MBTL1TAS2R14
SCHEMBL7002879 0.77 CYP2C19 (0.49) NR3C1TSHRCYP2C19
SCHEMBL250804 0.76 NR3C1 (0.48) NR3C1TAS2R14CALM1CAMKK2MTNR1A
SCHEMBL3006766 0.75 TRPM8 (0.54) NR3C1TSHRMAPK1CYP2C19
SCHEMBL8002568 0.75 MEN1 (0.47) TSHRLTA4HGAAMAOBACHE
SCHEMBL7001778 0.74 CYP2C19 (0.63) NR3C1TSHRMAPK1LTA4HG6PC1
SCHEMBL11684683 0.74 TSHR (0.51) TSHRMAPK1L3MBTL1G6PC1MTNR1A
SCHEMBL248534 0.74 ALDH1A1 (0.42) NR3C1TSHRTAS2R14ACHECYP2C19

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 8 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
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
US-5166350-A Process for the manufacture of fluoran compounds CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed