SCHEMBL14640958

SCHEMBL14640958

COc1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
FABP4 P15090 3/20 0.45
FABP3 P05413 2/20 0.45
FABP5 Q01469 1/20 0.43
RXRA P19793 3/20 0.43
RARG P13631 2/20 0.43
PPARG P37231 2/20 0.43
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
SOAT2 O75908 1/20 0.33
MYC P01106 1/20 0.33
SOAT1 P35610 1/20 0.33
MAP2K3 P46734 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL13816283 0.87 ACHE (0.41) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL10334357 0.85 GAA (0.42) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL6833633 0.85 GABRA1 (0.39) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL16785956 0.84 GABRA1 (0.38) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL24344597 0.82 CYP1A2 (0.38) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL4858958 0.82 GABRA1 (0.41) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL16253659 0.82 TAAR1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL11775737 0.80 ACHE (0.48) POLBGAAGFER
SCHEMBL24413824 0.80 GABRA1 (0.46) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9189238 0.79 RXRA (0.56) GABRA1GABRB2FABP4FABP3FABP5

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
WO-2020203514-A1 COLORING COMPOSITION, COMPOUND, COLOR FILTER, AND DISPLAY DEVICE 住友化学株式会社 2020-10-08 WO disclosed
EP-2360525-B1 Chemically amplified positive resist composition and pattern forming process SHINETSU CHEMICAL CO (JP) 2017-08-23 EP disclosed
WO-2007005676-A2 ACTIVATOR COMPOSITIONS AND THEIR USE IN CATALYSTS AND OLEFIN POLYMERIZATION ALBEMARLE CORPORATION (US) 2007-01-11 WO disclosed
WO-2007005921-A2 BRONSTED ACIDIC ALUMINOXANE COMPOSITIONS AND THEIR USE IN OLEFIN POLYMERIZATION CATALYST COMPOSITIONS ALBEMARLE CORPORATION (US) 2007-01-11 WO disclosed