SCHEMBL7933852

SCHEMBL7933852

NCCCCCCCCCCCCN1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ADRA1B P35368 6/20 0.45
ADRA1A P35348 2/20 0.44
PIK3CD O00329 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C19 P33261 1/20 0.41
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL28060890 1.00 TSHR (0.47) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL7933198 1.00 TSHR (0.47) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL4401518 0.98 TSHR (0.48) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL11670561 0.93 L3MBTL1 (0.44) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL56994 0.92 TSHR (0.50) TSHRADRA1BADRA1APIK3CDKMT2A
Water SCHEMBL27492735 0.90 TSHR (0.48) TSHRADRA1BADRA1APIK3CDKMT2A
Ammonia Solution, Strong SCHEMBL1579461 0.90 TSHR (0.48) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL19514132 0.90 PIK3CD (0.52) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL989008 0.90 PIK3CD (0.52) TSHRADRA1BADRA1APIK3CDKMT2A
SCHEMBL31632694 0.90 PIK3CD (0.52) TSHRADRA1BADRA1APIK3CDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242500-B1 Intercalates and exfoliates formed with long chain (C6+) or aromatic matrix polymer-compatible monomeric, oligomeric or polymeric intercalant compounds, and composite materials containing same AMCOL INTERNATIONAL CORPORATION 2001-06-05 US disclosed
US-6124365-A USEFUL AS PLASTICIZERS AND FOR PROVIDING INCREASED VISCOSITY AND ELASTICITY TO THERMOPLASTIC AND THERMOSETTING POLYMERS, E.G., FOR PLASTICIZING POLYVINYL CHLORIDE; FOR FOOD WRAP HAVING IMPROVED GAS IMPERMEABILITY AMCOL INTERNATIOANL CORPORATION (US) 2000-09-26 US disclosed
EP-0846662-A2 Intercalates and exfoliates, their process of manufacture and composites containing them AMCOL INTERNATIONAL CORPORATION (US) 1998-06-10 EP disclosed