SCHEMBL5573395

SCHEMBL5573395

C=CCc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.51
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
RCE1 Q9Y256 1/20 0.42
CNR1 P21554 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
GABRA1 P14867 2/20 0.41
CNR2 P34972 2/20 0.41
GABRB2 P47870 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH2 P05091 1/20 0.41
AKR1B1 P15121 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL27878693 0.83 CYP19A1 (0.50) CYP19A1KDM4EGAAALDH1A1HPGD
SCHEMBL8768626 0.81 CYP19A1 (0.39) CYP19A1KDM4EL3MBTL1GAAALDH1A1
SCHEMBL5573402 0.81 ESR2 (0.54) CYP19A1ALDH1A1MEN1CNR2KMT2A
SCHEMBL7198375 0.81 GABRA1 (0.41) CYP19A1KDM4EGAAALDH1A1HPGD
SCHEMBL4620939 0.81 GABRA1 (0.41) CYP19A1KDM4EGAAALDH1A1HPGD
SCHEMBL3910779 0.80 CYP19A1 (0.56) CYP19A1KDM4EGAAALDH1A1HPGD
SCHEMBL1838707 0.79 CYP19A1 (0.55) CYP19A1KDM4EL3MBTL1GAAALDH1A1
SCHEMBL19567997 0.79 CYP19A1 (0.55) CYP19A1KDM4EL3MBTL1GAAALDH1A1
SCHEMBL9377731 0.79 CSNK2A1 (0.57) CYP19A1KDM4EGAAALDH1A1HPGD
SCHEMBL31022184 0.79 CYP19A1 (0.55) CYP19A1KDM4EL3MBTL1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6858266-B2 Mixture with stabilizer; variations in light scattering XEROX CORPORATION (US) 2005-02-22 US disclosed
US-6849204-B2 Compounds of formulas (5) and (6) to stabilize liquid crystal domains XEROX CORPORATION (US) 2005-02-01 US disclosed
US-6824708-B2 SWITCHABLE BETWEEN STRONGLY AND WEAKLY SCATTERING STATES XEROX CORPORATION 2004-11-30 US disclosed
US-20040195547-A1 Compounds of formula (4) to stabilize liquid crystal domains XEROX CORPORATION 2004-10-07 US disclosed
US-6767480-B2 CONJUGATED BRIDGED ELECTRON ACCEPTOR AND DONOR MOIETIES XEROX CORPORATION 2004-07-27 US disclosed
EP-1439215-A1 Domain size controlled liquid crystals Xerox Corporation (US) 2004-07-21 EP disclosed
US-20040113121-A1 COMPOUNDS OF FORMULA (1) 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-20040115367-A1 Compounds of formula (2) 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-20040113123-A1 Liquid crystal compositions including dispersant XEROX CORPORATION 2004-06-17 US disclosed
US-20040113122-A1 Liquid crystal compositions including non-dipolar monomer XEROX CORPORATION 2004-06-17 US disclosed
US-20040113120-A1 Compounds of formulas (5) and (6) to stabilize liquid crystal domains XEROX CORPORATION 2004-06-17 US disclosed