SCHEMBL3684380

SCHEMBL3684380

CCc1cc(N2C(=O)C=C(C)C2=O)cc(N2C(=O)C=C(C)C2=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.31
MGLL Q99685 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL3681498 0.82 CCR6 (0.33) CCR6HSP90AA1
SCHEMBL3681485 0.81 MGLL (0.38) MGLLHSP90AA1
SCHEMBL3680070 0.79 MGLL (0.33) MGLL
SCHEMBL3679429 0.74 CCR6 (0.36) CCR6HSP90AA1
SCHEMBL3679147 0.74 MGLL (0.33) MGLL
SCHEMBL20261770 0.73 MGLL (0.59) MGLL
SCHEMBL1116215 0.72 KMT2A (0.41) MGLLHSP90AA1
SCHEMBL8885075 0.72 HSP90AA1 (0.52) CCR6MGLLHSP90AA1
SCHEMBL27902918 0.72 HSP90AA1 (0.57) CCR6MGLLHSP90AA1
SCHEMBL8885538 0.71 TSHR (0.39) CCR6MGLLHSP90AA1

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
US-20100175805-A1 RUBBER COMPOSITION FOR COVERING TEXTILE CORD AND TIRE EMPLOYING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-07-15 US disclosed