SCHEMBL1986305

SCHEMBL1986305

CC(C)C(OC(=O)c1ccccc1)C(C)(C)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 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
SCHEMBL720787 0.85 MAPK1 (0.54) MEN1KMT2ATSHRTP53NPC1
SCHEMBL4577911 0.83 PDCD1 (0.54) MEN1KMT2ATSHRTP53NPC1
SCHEMBL157372 0.82 MAPK1 (0.44) MEN1KMT2ATSHRTP53NPC1
SCHEMBL1785333 0.82 TSHR (0.50) MEN1KMT2ATSHRTP53NPC1
SCHEMBL27993598 0.81 KMT2A (0.49) MEN1KMT2ATSHRTP53NPC1
SCHEMBL16047488 0.80 MAPK1 (0.42) MEN1KMT2ATSHRTP53NPC1
SCHEMBL1081908 0.79 MEN1 (0.48) MEN1KMT2ATSHRTP53NPC1
SCHEMBL1782981 0.79 MEN1 (0.48) MEN1KMT2ATSHRTP53NPC1
Ethylene Glycol SCHEMBL11963136 0.79 MEN1 (0.45) MEN1KMT2ATSHRTP53NPC1
SCHEMBL16044767 0.78 ALDH1A1 (0.42) MEN1KMT2ATSHRTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613784-A1 COMPOSITION AND PROCESS FOR THE SOLVENT EXTRACTION OF METALS USING ALDOXIME OR KETOXIME EXTRACTANTS CYTEC TECHNOLOGY CORP. (US) 2006-01-11 EP claimed
WO-2004094676-A1 COMPOSITION AND PROCESS FOR THE SOLVENT EXTRACTION OF METALS USING ALDOXIME OR KETOXIME EXTRACTANTS CYTEC TECHNOLOGY CORP. (US) 2004-11-04 WO claimed
EP-0416822-B1 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORP (US) 1996-03-13 EP claimed
US-5006585-A Hydroxy ester compounds, stain resistance, vinyl chloride polymers HULS AMERICA INC. (US) 1991-04-09 US claimed
EP-0416822-A2 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORPORATION (US) 1991-03-13 EP claimed
WO-2013016082-A1 METHOD FOR MAINTAINING THE RATIO OF THE OXIME TO EQUILIBRIUM MODIFIER CONCENTRATION IN SOLVENT EXTRACTION CIRCUITS COGNIS IP MANAGEMENT GMBH (DE) 2013-01-31 WO disclosed
US-20120052428-A1 PENTANEDIOL ESTER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-03-01 US disclosed
US-20120052428-A1 PENTANEDIOL ESTER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-03-01 US disclosed
EP-2337872-A1 METAL EXTRACTANT REAGENTS HAVING INCREASED RESISTANCE TO DEGRADATION Cytec Technology Corporation (US) 2011-06-29 EP disclosed
WO-2010044972-A1 METAL EXTRACTANT REAGENTS HAVING INCREASED RESISTANCE TO DEGRADATION CYTEC TECHNOLOGY CORP. (US) 2010-04-22 WO disclosed
EP-1056815-A1 INK DEVELOPMENT PROCESSES FOR THE PREPARATION OF PIGMENTED SOLID INKS Hitachi Koki Imaging Solutions, Inc. (US) 2000-12-06 EP disclosed
WO-1999042532-A9 INK DEVELOPMENT PROCESSES FOR THE PREPARATION OF PIGMENTED SOLID INKS HITACHI KOKI IMAGING SOLUTIONS (US) 2000-10-05 WO disclosed
WO-1999042532-A1 INK DEVELOPMENT PROCESSES FOR THE PREPARATION OF PIGMENTED SOLID INKS HITACHI KOKI IMAGING SOLUTIONS, INC. (US) 1999-08-26 WO disclosed
EP-0416822-B1 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORP (US) 1996-03-13 EP disclosed
EP-0673916-A1 Preparation of 2,2,4-trimethyl-1,3-pentanediol dibenzoate and di(alkyl-substituted) benzoates VELSICOL CHEMICAL CORPORATION (US) 1995-09-27 EP disclosed
US-5153342-A Esterification of 2,2,4-trimethyl-1,3-pentanediol with (alkyl) benzoic acids using basic catalysts HULS AMERICA INC. (US) 1992-10-06 US disclosed
US-5039728-A Floor and wall coverings; vinly chloride homo- and copolymers HULS AMERICA INC. (US) 1991-08-13 US disclosed
US-5006585-A Hydroxy ester compounds, stain resistance, vinyl chloride polymers HULS AMERICA INC. (US) 1991-04-09 US disclosed
EP-0416822-A2 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORPORATION (US) 1991-03-13 EP disclosed