SCHEMBL9509517

SCHEMBL9509517

CN(C)CCC(=O)c1cccc(C(=O)CCN(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.60
THRB P10828 10/20 0.60
KMT2A Q03164 1/20 0.58
GSR P00390 2/20 0.54
EGFR P00533 3/20 0.50

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
SCHEMBL11271365 0.89 THRA (0.55) THRATHRBKMT2AGSREGFR
SCHEMBL12391580 0.89 CTNNB1 (0.55) THRATHRBKMT2AGSREGFR
SCHEMBL30317739 0.89 THRA (0.55) THRATHRBKMT2AGSREGFR
SCHEMBL30701093 0.89 CTNNB1 (0.55) THRATHRBKMT2AGSREGFR
SCHEMBL19072807 0.88 THRA (0.53) THRATHRBKMT2AGSREGFR
SCHEMBL116221 0.88 THRA (0.53) THRATHRBKMT2AGSREGFR
SCHEMBL29965467 0.88 THRA (0.53) THRATHRBKMT2AGSREGFR
SCHEMBL5954219 0.88 THRA (0.53) THRATHRBKMT2AGSREGFR
SCHEMBL29965761 0.88 THRA (0.53) THRATHRBKMT2AGSREGFR
SCHEMBL3870786 0.88 THRA (0.57) THRATHRBKMT2AGSR

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-0260877-B1 Photosensitizers and polymerizable compositions MINNESOTA MINING & MFG (US) 1993-11-03 EP disclosed
US-4792506-A FREE RADICAL POLYMERIZATION OF VINYL MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-20 US disclosed
EP-0260877-A2 Photosensitizers and polymerizable compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-03-23 EP disclosed