SCHEMBL4853487

SCHEMBL4853487

c1ccc2c(c1)cc1ccc3cc4ccccc4c4c5ccccc5c2c1c34

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.64
ERBB2 P04626 1/20 0.64
FYN P06241 1/20 0.64
MAOA P21397 1/20 0.64
ACHE P22303 1/20 0.64
AHR P35869 1/20 0.64
HSD17B10 Q99714 7/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.52
HIF1A Q16665 3/20 0.52
CYP1B1 Q16678 1/20 0.52
THRB P10828 1/20 0.52
NQO2 P16083 3/20 0.48
TSHR P16473 3/20 0.48
CYP2A6 P11509 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NQO1 P15559 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
CASP1 P29466 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
SCHEMBL55923 0.91 CYP1A2 (0.73) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31019665 0.91 CYP1A2 (0.73) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29876464 0.91 CYP1A2 (0.73) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846308 0.90 ALDH1A1 (0.54) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5470699 0.90 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4854138 0.89 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855399 0.88 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2536310 0.87 CYP1A2 (0.83) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2533061 0.87 CYP1A2 (0.83) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4851973 0.87 CYP1A2 (0.74) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
EP-0450862-B1 Organic thin film element TOSHIBA KK (JP) 1999-06-30 EP disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
US-5155566-A ORGANIC THIN FILM ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1992-10-13 US disclosed
EP-0450862-A2 Organic thin film element KABUSHIKI KAISHA TOSHIBA (JP) 1991-10-09 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed