SCHEMBL747850

SCHEMBL747850

COc1ccc(C(=O)CC(=O)c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
CES1 P23141 2/20 0.69
CES2 O00748 1/20 0.69
KMT2A Q03164 5/20 0.67
RAB9A P51151 4/20 0.67
MEN1 O00255 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
HSD17B10 Q99714 2/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
HPGD P15428 2/20 0.67
ALOX15 P16050 2/20 0.67
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
TP53 P04637 1/20 0.67
ALOX12 P18054 1/20 0.67
APEX1 P27695 1/20 0.67
RECQL P46063 1/20 0.67

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
SCHEMBL4197234 1.00 NPC1 (0.71) NPC1CES1CES2KMT2ARAB9A
SCHEMBL28972841 0.93 NPC1 (0.63) NPC1CES1CES2KMT2ARAB9A
SCHEMBL153386 0.92 ALDH1A1 (0.76) NPC1CES1CES2KMT2AALDH1A1
SCHEMBL16203309 0.91 KMT2A (0.68) NPC1CES1CES2KMT2ARAB9A
SCHEMBL10457517 0.90 NPC1 (0.60) NPC1CES1CES2KMT2ARAB9A
Avobenzone SCHEMBL5680371 0.89 TDP1 (0.88) NPC1CES1CES2KMT2ARAB9A
SCHEMBL9817265 0.89 CA1 (0.77) NPC1CES1CES2KMT2ARAB9A
SCHEMBL4483889 0.89 NPC1 (0.77) NPC1CES1CES2KMT2ARAB9A
SCHEMBL3385712 0.87 NPC1 (0.73) NPC1CES1CES2KMT2ARAB9A
SCHEMBL3633720 0.87 CES2 (0.67) NPC1CES1CES2KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102112098-B Oil-in-water type emulsion composition 株式会社资生堂 2016-10-19 CN claimed
US-8372907-B2 Stabilizer for chlorine-containing resins and chlorine-containing resin composition ADEKA CORPORATION (JP) 2013-02-12 US claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
EP-1595936-B1 COMPOSITION FOR EXTERNAL USE VITAMIN C60 BIORES CORP (JP) 2011-10-19 EP claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1909913-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-04-16 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
EP-1789015-A1 METHOD FOR STYLISHLY CHANGING THE COLOR OF KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
WO-2002053120-A2 COSMETIC AND DERMATOLOGICAL LIGHT PROTECTION FORMULATIONS CONTAINING BENZOTRIAZOLE DERIVATIVES AND SURFACTANT SUCROSE ESTERS BEIERSDORF AG (DE) 2002-07-11 WO claimed
WO-2002049582-A2 COSMETIC AND DERMATOLOGICAL LIGHT PROTECTIVE FORMULATIONS CONTAINING BENZOTRIAZOLE DERIVATIVES AND SURFACE ACTIVE CITRIC ACID ESTERS BEIERSDORF AG (DE) 2002-06-27 WO claimed
WO-2002049595-A2 FILTERING COMPOSITION CONTAINING A FILTER OF THE TYPE DERIVED FROM DIBENZOYLMETHANE AND A 4,4-DIARYLBUTADIENE TYPE FILTER L'OREAL (FR) 2002-06-27 WO claimed
US-5783174-A CONTAINING AN AROMATIC KETONE MIXTURES THE PROCTER & GAMBLE COMPANY (US) 1998-07-21 US claimed
EP-0654989-B1 PHOTOSTABLE SUNSCREEN COMPOSITIONS PROCTER & GAMBLE (US) 1997-09-24 EP claimed