SCHEMBL4338960

SCHEMBL4338960

CCC(C)(C)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.49
CYP17A1 P05093 3/20 0.44
CYP19A1 P11511 4/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
NFKB1 P19838 2/20 0.37
QPCT Q16769 1/20 0.37
HSD17B10 Q99714 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
MEN1 O00255 1/20 0.32
SLC22A1 O15245 1/20 0.32
KCNN4 O15554 1/20 0.32
NR1I2 O75469 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
TRPM2 O94759 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32

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
Iodide SCHEMBL27677678 0.98 TBXAS1 (0.47) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL28328253 0.98 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
Bromide SCHEMBL28286964 0.98 TBXAS1 (0.47) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
Bicarbonate SCHEMBL29201379 0.90 TBXAS1 (0.58) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL21392728 0.84 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL19785772 0.84 TBXAS1 (0.44) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4342783 0.83 TBXAS1 (0.54) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL28928798 0.82 CYP17A1 (0.44) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL12115795 0.82 CYP17A1 (0.44) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL28843269 0.80 TBXAS1 (0.47) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2

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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110364363-A A kind of preparation method of dye-sensitized solar cells 江苏理工学院 2019-10-22 CN claimed
CN-108795407-A Based on the electroluminescent sour electrochromic material acted on and prepare electrochromic device 常州铱视光电科技有限公司 2018-11-13 CN claimed
CN-104450020-B A kind of anti-extreme-pressure wear-resistant type chain drain oil compositions and preparation method thereof 宁波春蕊润滑油有限公司 2016-09-28 CN claimed
CN-105838350-A Electrochromic composite material and prepared electrochromic device 吉林大学 2016-08-10 CN claimed
CN-104496956-B A kind of flavones ingredient extraction and separation method based on amination Graphene CHENG JINSHENG (CN) 2016-04-13 CN claimed
CN-103093965-B Quasi-solid-state polymer gel electrolyte and preparation method thereof DALIAN POLYTECHNIC UNIVERSITY (CN) 2015-11-25 CN claimed
CN-104496956-A Extraction separation method of flavone component based on amination grapheme CHENG JINSHENG 2015-04-08 CN claimed
CN-102015960-B Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2014-11-19 CN claimed
CN-104143494-A Component of a plasma processing apparatus having a protective in situ formed layer on a plasma exposed surface LAM RES CORP 2014-11-12 CN claimed
CN-103361630-A Group 2 imidazolate formulations for direct liquid injection AIR PROD & CHEM 2013-10-23 CN claimed
CN-102597760-A A method for quantifying a chemical substance with substitutional stripping voltammetry and a sensor chip used therefor PANASONIC CORP 2012-07-18 CN claimed
CN-102576004-A A method for quantifying a chemical substance with substitutional stripping volammetry and a sensor chip used therefor PANASONIC CORP 2012-07-11 CN claimed
CN-101930850-B Gel electrolyte in dye-sensitized solar cell, special electrolyte and preparation method thereof UNIV TSINGHUA 2012-03-28 CN claimed
CN-102219917-A Flexible display material based on bacterial cellulose UNIV HUAZHONG SCIENCE TECH 2011-10-19 CN claimed
CN-102024569-A Solar cell electrolyte and application thereof DALIAN HEPTACHROMA SOLARTECH CO LTD 2011-04-20 CN claimed
CN-102015960-A Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2011-04-13 CN claimed
CN-101930850-A Gel electrolyte in dye-sensitized solar cell, special electrolyte and preparation method thereof UNIV TSINGHUA 2010-12-29 CN claimed
CN-100570900-C Be used for phosphoric acid ester electrolyte solvent of DSSC and uses thereof UNIV DALIAN TECH (CN) 2009-12-16 CN claimed
CN-101188252-A Ester phosphate electrolysis solvent for dye sensitization solar battery UNIV DALIAN TECH (CN) 2008-05-28 CN claimed
CN-1412882-A Electrolyte for lithium-sulphur cell and lithium-sulphur cell containing said electrolyte SAMSUNG SDI CO LTD (KR) 2003-04-23 CN claimed