SCHEMBL6154724

SCHEMBL6154724

C=CC(=O)C=C(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.52
DEGS1 O15121 1/20 0.47
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
LTB4R Q15722 6/20 0.43
LTB4R2 Q9NPC1 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NFE2L2 Q16236 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL16502 0.79 AKT1 (0.56) AKT1CES2CES1SMN1; SMN2MEN1
SCHEMBL31421722 0.79 DEGS1 (0.53) AKT1DEGS1CES2CES1LTB4R
SCHEMBL566351 0.79 DEGS1 (0.53) AKT1DEGS1CES2CES1LTB4R
SCHEMBL566350 0.79 DEGS1 (0.53) AKT1DEGS1CES2CES1LTB4R
SCHEMBL582234 0.79 NR4A2 (0.60) AKT1DEGS1CES2CES1SMN1; SMN2
SCHEMBL691911 0.79 NR4A2 (0.60) AKT1DEGS1CES2CES1SMN1; SMN2
SCHEMBL1536443 0.79 NR4A2 (0.60) AKT1DEGS1CES2CES1SMN1; SMN2
SCHEMBL11422067 0.78 AKT1 (0.43) AKT1DEGS1CES2CES1LTB4R
SCHEMBL566978 0.77 NFE2L2 (0.61) AKT1DEGS1CES2CES1SMN1; SMN2
Hydrochloric Acid SCHEMBL11760666 0.77 NR4A2 (0.58) AKT1DEGS1CES2CES1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921163-B1 Pigment composition and aqueous pigment dispersion prepared therefrom TOYO INK MFG CO (JP) 2005-02-02 EP disclosed
US-6379451-B1 Pigment composition and aqueous pigment dispersion product using the same TOYO INK MFG. CO., LTD. (JP) 2002-04-30 US disclosed
US-6056814-A DRY-MILLING POWDERED PIGMENTS IN PRESENCE OF SURFACTANT AND WATER SOLUBLE RESIN COATING TO IMPROVE ADHESION OF RESIN TO PIGMENT SURFACE YIELDS AQUEOUS DISPERSIONS FOR WATER-BASED PAINTS OR INKS TOYO INK MFG. CO., LTD. (JP) 2000-05-02 US disclosed
EP-0921163-A2 Pigment composition and aqueous pigment dispersion prepared therefrom TOYO INK MANUFACTURING CO., LTD. (JP) 1999-06-09 EP disclosed