SCHEMBL5418286

SCHEMBL5418286

OCC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
GSR P00390 1/20 0.49
AOC3 Q16853 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.43
TACR1 P25103 2/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39

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
SCHEMBL14945152 1.00 CHRNB2 (0.53) CHRNB2CHRNA4GSRAOC3SLC6A2
SCHEMBL8038066 0.81 GSR (0.55) CHRNB2CHRNA4GSRCYP1A2CYP2C19
SCHEMBL9862388 0.81 GSR (0.53) CHRNB2CHRNA4GSRSLC6A4CYP1A2
SCHEMBL9216785 0.80 CHRNB2 (0.77) CHRNB2CHRNA4AOC3SLC6A2SLC6A3
SCHEMBL16864526 0.80 CHRNB2 (0.53) CHRNB2CHRNA4AOC3SLC6A2SLC6A3
SCHEMBL4466281 0.79 FFAR1 (0.53) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL7487168 0.79 TACR1 (0.49) TACR1IDO1
SCHEMBL7476736 0.79 TACR1 (0.49) TACR1IDO1
SCHEMBL7526436 0.78 CHRNB2 (0.51) CHRNB2CHRNA4AOC3SLC6A2SLC6A3
SCHEMBL28643037 0.78 TACR1 (0.56) CHRNB2CHRNA4AOC3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1124246-C Process for preparing 4-(2-alkoxyethyl) phenol by phase-transfer catalysis SHANGHAI INST ORGANIC CHEM (CN) 2003-10-15 CN claimed
CN-1291605-A Process for preparing 4-(2-alkoxyethyl) phenol by phase-transfer catalysis SHANGHAI INST ORGANIC CHEM (CN) 2001-04-18 CN claimed
CN-103391984-B Thermochromic composition SAKURA COLOR PRODUCTS CORP. (JP) 2016-02-24 CN disclosed
CN-103391984-A Thermochromic composition SAKURA COLOR PROD CORP 2013-11-13 CN disclosed
CN-101638477-A Asymmetric polyether dihydric alcohol and preparation method thereof SHANDONG INST LIGHT INDUSTRY 2010-02-03 CN disclosed
CN-100482629-C Para-(2-methoxyl) ethylphenol synthesis method SHANGHAI INST TECHNOLOGY (CN) 2009-04-29 CN disclosed
CN-1328252-C Novel optical pure water soluble diamine and derivative, preparation method and use thereof CHENGDU ORGANIC CHEM INST (CN) 2007-07-25 CN disclosed
US-20070044729-A1 AMUSEMENT ARTICLES POSSESSING MICROBE-INHIBITING PROPERTIES SEEFAR TECHNOLOGIES, INCORPORATED (US) 2007-03-01 US disclosed
US-7137358-B2 Amusement articles possessing microbe-inhibiting properties SEEFAR TECHNOLOGIES, INC. (US) 2006-11-21 US disclosed
CN-1800128-A Para-(2-methoxyl) ethylphenol synthesis method SHANGHAI INST TECHNOLOGY (CN) 2006-07-12 CN disclosed
CN-1566084-A Novel optical pure water soluble diamine and derivative, preparation method and use thereof CHENGDU ORGANIC CHEM INST (CN) 2005-01-19 CN disclosed
US-5298260-A Administering to skin of mammal in liquid state MEDIVENTURES, INC. (US) 1994-03-29 US disclosed
US-5277911-A Thermal reversible aqueous gel MEDIVENTURES, INC. (US) 1994-01-11 US disclosed
EP-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 EP disclosed
US-5232628-A Nonionic and anionic surfactante as textile additives, wetting or padding agents CIBA-GEIGY CORPORATION (US) 1993-08-03 US disclosed
US-5126474-A POLYADDUCTS OF ALKYLENE OXIDE AND STYRENE OXIDE WITH ARYL ALKANOLS CIBA-GEIGY CORPORATION (US) 1992-06-30 US disclosed
EP-0420807-A1 Addition products of alkylene and styrene oxide on arylalkanols CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4136096-A REACTING A 3-CYANO-PENAM WITH AN AZIDE PFIZER INC. (US) 1979-01-23 US disclosed
US-4081455-A ANTIBACTERIAL PFIZER INC. (US) 1978-03-28 US disclosed
US-3992394-A PENICILLIN INTERMEDIATES FOR BACTERICIDES PFIZER INC. (US) 1976-11-16 US disclosed