SCHEMBL4960710

SCHEMBL4960710

Nc1c(CCO)ccc2c1OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAD Q92934 2/20 0.39
AOC3 Q16853 3/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP3A4 P08684 3/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
TKT P29401 1/20 0.33
CALM1 P0DP23 1/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3A P46098 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
SLC6A4 P31645 1/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL14419348 0.78 AOC3 (0.37) BADAOC3HDAC3HDAC1TAAR1
SCHEMBL31650021 0.77 AOC3 (0.44) BADAOC3HDAC3HDAC1TAAR1
SCHEMBL3468774 0.77 AOC3 (0.44) BADAOC3HDAC3HDAC1TAAR1
SCHEMBL13485443 0.77 HDAC1 (0.34) BADAOC3HDAC3HDAC1CYP3A4
SCHEMBL30360690 0.74 KDM4C (0.46) BADHTR2AHTR2C
SCHEMBL4130192 0.74 KDM4C (0.46) BADHTR2AHTR2C
SCHEMBL11547575 0.72 TXNRD1 (0.39) BADAOC3TAAR1CYP3A4TXNRD1
SCHEMBL27499616 0.72 MEN1 (0.42) TAAR1CYP3A4ADRA2ACYP2D6TKT
Hydrochloric Acid SCHEMBL30749426 0.71 TXNRD1 (0.38) BADAOC3TAAR1CYP3A4TXNRD1
Hydrochloric Acid SCHEMBL31668880 0.71 TXNRD1 (0.38) BADAOC3TAAR1CYP3A4TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990007504-A1 OXIDATION HAIR-DYEING AGENT CONTAINING DIAMINOPYRAZOLE DERIVATIVES AND NOVEL DIAMINOPYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 WO claimed
CN-114867447-B Multilayer soluble solid article comprising solid particles for preparing multilayer soluble solid article 宝洁公司 2024-11-29 CN disclosed
CN-118302150-A Method for treating keratin materials or fibres for head gear articles 花王株式会社 2024-07-05 CN disclosed
CN-118302149-A Method for treating keratin materials or fibres for head gear articles 花王株式会社 2024-07-05 CN disclosed
CN-114341423-B Human hair fiber treating agent 花王株式会社 2024-05-14 CN disclosed
CN-118043024-A Solid composition for dyeing keratin 花王株式会社 2024-05-14 CN disclosed
CN-117120686-A Fiber treatment agent 花王株式会社 2023-11-24 CN disclosed
CN-116783347-A Fiber treatment agent 花王株式会社 2023-09-19 CN disclosed
CN-116745484-A fiber treatment agent 花王株式会社 2023-09-12 CN disclosed
CN-116710610-A Fiber treatment agent 花王株式会社 2023-09-05 CN disclosed
CN-103524420-A Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof PROCTER & GAMBLE 2014-01-22 CN disclosed
EP-1432395-B1 METHOD FOR COLOURING KERATIN FIBRES USING CARBONYL COMPOUNDS TO IMPROVE THE COLOUR STABILITY OF HAIR COLORATION HENKEL AG & CO KGAA (DE) 2012-08-08 EP disclosed
EP-1896139-A2 PERMANENT WAVING AND SIMULTANEOUSLY COLORING AGENT Showa Denko K.K. (JP) 2008-03-12 EP disclosed
WO-2006121214-A2 PERMANENT WAVING AND SIMULTANEOUSLY COLORING AGENT SHOWA DENKO K.K. (JP) 2006-11-16 WO disclosed
WO-2006102987-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-05 WO disclosed
WO-2006103036-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-05 WO disclosed
EP-1606045-A2 MIXING DEVICE Henkel Kommanditgesellschaft auf Aktien (DE) 2005-12-21 EP disclosed
EP-1085851-B1 COLORANTS AND USE THEREOF HENKEL KGAA (DE) 2005-07-20 EP disclosed
WO-2004082818-A2 MIXING DEVICE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-30 WO disclosed
US-5766576-A NONTOXIC DYE DEVELOPER; WASHFASTNESS, COLORFASTNESS, RED COLOR INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed