SCHEMBL9864844

SCHEMBL9864844

C=CC(=O)Nc1ccc(CCCCCCCC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 1.00
THRA P10827 7/20 1.00
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SPHK1 Q9NYA1 8/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
S1PR1 P21453 1/20 0.56

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
SCHEMBL19854529 1.00 THRB (1.00) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL2728759 1.00 THRB (1.00) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL2729131 1.00 THRB (1.00) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL2727638 1.00 THRB (1.00) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL29175026 0.98 THRB (0.97) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL19855850 0.94 THRB (0.89) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL6677167 0.94 THRA (0.88) THRBTHRAMEN1KMT2ACA12
SCHEMBL15756377 0.92 THRA (0.85) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL20469633 0.90 THRB (0.82) THRBTHRAMEN1KMT2ASPHK1
SCHEMBL20370424 0.89 THRB (0.80) THRBTHRAMEN1KMT2ASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP disclosed