SCHEMBL3677112

SCHEMBL3677112

Cc1cccc(C(O)(O)c2cccc(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
LMNA P02545 1/20 0.47
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
KIF11 P52732 5/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPN5 P54829 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL8784973 0.85 ACHE (0.52) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL31589254 0.85 ACHE (0.52) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL2538414 0.83 ACHE (0.50) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL28716758 0.83 ACHE (0.52) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL18552918 0.83 ACHE (0.50) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL29403735 0.83 ACHE (0.52) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL27562672 0.80 TRPA1 (0.42) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL2862818 0.79 KIF11 (0.47) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL7768253 0.79 KIF11 (0.47) ACHELMNAHTR3EHTR3BHTR3A
SCHEMBL16231401 0.79 ACHE (0.46) ACHELMNAHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490966-A4 RADIATION-SENSITIVE COMPOSITIONS CONTAINING FULLY SUBSTITUTED NOVOLAK POLYMERS 1992-10-21 EP claimed
EP-0490966-A1 RADIATION-SENSITIVE COMPOSITIONS CONTAINING FULLY SUBSTITUTED NOVOLAK POLYMERS OCG MICROELECTRONICS MATERIALS, INC. (US) 1992-06-24 EP claimed
EP-2217651-A2 CURABLE COMPOSITIONS CONTAINING ISOCYANATE-BASED TOUGHENERS Henkel AG & Co. KGaA (DE) 2010-08-18 EP disclosed
WO-2009075743-A2 CURABLE COMPOSITIONS CONTAINING ISOCYANATE-BASED TOUGHENERS HENKEL AG & CO. KGAA (DE) 2009-06-18 WO disclosed
EP-1745105-A4 POLYETHERALKANOLAMINE DISPERSANTS HUNTSMAN SPEC CHEM CORP (US) 2008-09-10 EP disclosed
EP-1745105-A1 POLYETHERALKANOLAMINE DISPERSANTS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2007-01-24 EP disclosed
WO-2005113676-A1 POLYETHERALKANOLAMINE DISPERSANTS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2005-12-01 WO disclosed
EP-1565536-A1 B-STAGEABLE DIE ATTACH ADHESIVES Henkel Corporation (US) 2005-08-24 EP disclosed
EP-1516030-A1 PHOTOCURABLE ADHESIVE COMPOSITIONS, REACTION PRODUCTS OF WHICH HAVE LOW HALIDE ION CONTENT Loctite (R & D) Limited (IE) 2005-03-23 EP disclosed
WO-2004048491-A1 B-STAGEABLE DIE ATTACH ADHESIVES HENKEL CORPORATION (US) 2004-06-10 WO disclosed
WO-2004000965-A1 PHOTOCURABLE ADHESIVE COMPOSITIONS, REACTION PRODUCTS OF WHICH HAVE LOW HALIDE ION CONTENT LOCTITE (R & D) LIMITED (IE) 2003-12-31 WO disclosed
EP-0619034-A4 SELECTED NOVOLAK RESINS AND SELECTED RADIATION-SENSITIVE COMPOSITIONS. OCG MICROELECTRONIC MATERIALS (US) 1995-06-14 EP disclosed
EP-0619034-A1 SELECTED NOVOLAK RESINS AND SELECTED RADIATION-SENSITIVE COMPOSITIONS OCG MICROELECTRONIC MATERIALS, INC. (US) 1994-10-12 EP disclosed
EP-0388236-A1 Fuel oil compositions EXXON CHEMICAL PATENTS INC. (US) 1990-09-19 EP disclosed
EP-0297396-A2 Laminate of sheet metal and duroplastic; method of making such a laminate and its use in the manufacture of cars DSM N.V. (NL) 1989-01-04 EP disclosed
EP-0222298-A2 Intumescent masses based on an epoxy resin and containing fillers BAYER AG (DE) 1987-05-20 EP disclosed