SCHEMBL4053056

SCHEMBL4053056

C=CSC=C.O=C(O)CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1.O=C(O)CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
THRA P10827 2/20 0.42
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 2/20 0.38
PTGDR2 Q9Y5Y4 9/20 0.38
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR Q13258 3/20 0.34
PTGER2 P43116 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
Ethylene SCHEMBL4047965 0.89 THRB (0.48) THRBTHRAFFAR4FFAR1PTGDR2
SCHEMBL38822 0.89 THRB (0.50) THRBTHRAFFAR4FFAR1PTGDR2
Ammonia Solution, Strong SCHEMBL4052129 0.88 THRB (0.49) THRBTHRAFFAR4FFAR1PTGDR2
Alcohol SCHEMBL28852088 0.84 THRB (0.46) THRBTHRAFFAR4FFAR1PTGDR2
SCHEMBL4046281 0.82 THRB (0.44) THRBTHRAFFAR4FFAR1PTGDR2
Octane SCHEMBL27811633 0.81 THRA (0.46) THRBTHRAFFAR4FFAR1PTGDR2
SCHEMBL7792116 0.80 THRA (0.45) THRBTHRAFFAR4FFAR1PTGDR2
SCHEMBL7792495 0.79 THRB (0.44) THRBTHRAFFAR4FFAR1PTGDR2
SCHEMBL7796368 0.77 KMT2A (0.47) THRBTHRAFFAR4FFAR1PTGDR2
SCHEMBL8747783 0.76 MEN1 (0.47) THRBTHRAPTGDR2NUDT1BACE1

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
EP-2035470-A1 THERMOPLASTIC RESIN COMPOSITIONS SUITABLE FOR USE IN TRANSPARENT LAMINATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
WO-2007149082-A1 THERMOPLASTIC RESIN COMPOSITIONS SUITABLE FOR USE IN TRANSPARENT LAMINATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 WO disclosed
US-20070289693-A1 Thermoplastic resin compositions suitable for use in transparent laminates E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-20 US disclosed