SCHEMBL2048244

SCHEMBL2048244

C=C(CCCN)C(=O)OCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
TSHR P16473 4/20 0.42
THRB P10828 3/20 0.35
LMNA P02545 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRR2 P28476 1/20 0.35
SLC6A1 P30531 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL4453593 0.91 TSHR (0.49) CYP1A2TSHRTHRBLMNANPSR1
SCHEMBL2951935 0.89 TSHR (0.40) CYP1A2TSHRTHRBLMNAHTR2C
SCHEMBL10830013 0.87 TSHR (0.49) CYP1A2TSHRTHRBNPSR1HTR2C
SCHEMBL4128712 0.86 CYP1A2 (0.41) CYP1A2TSHRTHRBLMNAGABRR3
SCHEMBL3477341 0.86 TSHR (0.50) TSHRTHRBNPSR1ALDH1A1DGKA
SCHEMBL4351908 0.85 TSHR (0.46) CYP1A2TSHRTHRBNPSR1HTR2C
SCHEMBL2820294 0.85 TSHR (0.46) CYP1A2TSHRTHRBLMNAGABRR3
SCHEMBL2405800 0.85 CYP1A2 (0.59) CYP1A2TSHRTHRBLMNAGABRR3
SCHEMBL11142420 0.85 TSHR (0.53) TSHRKMT2AHDAC11ALDH1A1DGKA
SCHEMBL3361215 0.84 TSHR (0.49) CYP1A2TSHRTHRBNPSR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964666-B2 Styrene-based resin from graft polymerization to a rubbery polymer, a monomer with aromatic viaffinity to the polyamide resin blended to the polyamide resin, an aromatic vinyl-based monomer, an alpha , beta -unsaturated carboxylic anhydride and a vinyl cyanide monomer; automobile materials TORAY INDUSTRIES, INC. (JP) 2011-06-21 US disclosed
US-20080071024-A1 Thermoplastic Resin Composition TORAY INDUSTRIES, INC. (JP) 2008-03-20 US disclosed