SCHEMBL5573402

SCHEMBL5573402

C=CCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.54
GSK3B P49841 2/20 0.45
GSK3A P49840 1/20 0.45
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
PTPN5 P54829 1/20 0.43
PPARG P37231 2/20 0.42
PRKAG1 P54619 3/20 0.41
PRKAA1 Q13131 3/20 0.41
PRKAB1 Q9Y478 3/20 0.41
ACHE P22303 1/20 0.41
MME P08473 1/20 0.41
CNR2 P34972 1/20 0.41
TRPA1 O75762 1/20 0.39
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL9846028 0.85 ESR2 (0.56) ESR2GSK3BGSK3AFFAR1AKR1B1
SCHEMBL27955134 0.82 ESR2 (0.57) ESR2GSK3BGSK3AFFAR1AKR1B1
SCHEMBL5573395 0.81 CYP19A1 (0.51) ESR2AKR1B1PPARGCNR2GABRG2
SCHEMBL1713 0.79 ESR2 (0.67) ESR2GSK3BGSK3AFFAR1AKR1B1
SCHEMBL28048348 0.78 ESR2 (0.51) ESR2FFAR1AKR1B1PTPN5MME
SCHEMBL31410710 0.78 ESR2 (0.76) ESR2GSK3BGSK3AFFAR1AKR1B1
SCHEMBL7867991 0.77 ESR2 (0.59) ESR2GSK3BGSK3AFFAR1AKR1B1
SCHEMBL3169219 0.77 ESR2 (0.59) ESR2GSK3BGSK3AFFAR1AKR1B1
SCHEMBL360601 0.77 ESR2 (0.59) ESR2GSK3BGSK3AFFAR1AKR1B1
SCHEMBL31124937 0.77 ESR2 (0.59) ESR2GSK3BGSK3AFFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690046-B1 Method of preparation of biphenyls using palladacyclen as catalyst CLARIANT GMBH (DE) 1998-12-23 EP claimed
US-5559277-A Process for preparing biphenyls using palladacycles as catalysts HOECHST AG (DE) 1996-09-24 US claimed
EP-0690046-A1 Method of preparation of biphenyls using palladacyclen as catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-03 EP claimed
JP-8092132-A None JP disclosed
US-7282245-B2 Device with multiple liquid crystal layers XEROX CORPORATION (US) 2007-10-16 US disclosed
US-7211301-B2 Liquid crystal compositions including non-dipolar monomer XEROX CORPORATION (US) 2007-05-01 US disclosed
US-20060088667-A1 Device with multiple liquid crystal layers XEROX CORPORATION 2006-04-27 US disclosed
US-6994801-B2 Compounds of formula (4) to stabilize liquid crystal domains XEROX CORPORATION (US) 2006-02-07 US disclosed
EP-1439215-B1 Domain size controlled liquid crystals XEROX CORP (US) 2005-12-14 EP disclosed
US-6939478-B2 Compounds of formula (2) to stabilize liquid crystal domains XEROX CORPORATION (US) 2005-09-06 US disclosed
US-6905633-B2 Compounds of formula (3) to stabilize liquid crystal domains XEROX CORPORATION (US) 2005-06-14 US disclosed
US-20040115367-A1 Compounds of formula (2) to stabilize liquid crystal domains XEROX CORPORATION 2004-06-17 US disclosed
US-20040113119-A1 Compounds of formulas (3) and (4) to stabilize liquid crystal domains XEROX CORPORATION 2004-06-17 US disclosed
US-20040113121-A1 COMPOUNDS OF FORMULA (1) TO STABILIZE LIQUID CRYSTAL DOMAINS XEROX CORPORATION 2004-06-17 US disclosed
US-20040115366-A1 Domain size controlled liquid crystals XEROX CORPORATION 2004-06-17 US disclosed
US-20040113122-A1 Liquid crystal compositions including non-dipolar monomer XEROX CORPORATION 2004-06-17 US disclosed
EP-0690046-B1 Method of preparation of biphenyls using palladacyclen as catalyst CLARIANT GMBH (DE) 1998-12-23 EP disclosed
US-5559277-A Process for preparing biphenyls using palladacycles as catalysts HOECHST AG (DE) 1996-09-24 US disclosed
JP-H0892132-A PRODUCTION OF BIPHENYLS USING PALLADACYCLE AS CATALYST HOECHST AG 1996-04-09 JP disclosed
EP-0690046-A1 Method of preparation of biphenyls using palladacyclen as catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-03 EP disclosed