SCHEMBL4428432

SCHEMBL4428432

CCC(=O)Nc1cc(NC(=O)CC)nc(NC(=O)CC)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.56
ADORA1 P30542 11/20 0.56
ADORA2A P29274 10/20 0.56
ADORA2B P29275 8/20 0.56
TSHR P16473 1/20 0.48

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
SCHEMBL3295899 0.83 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4552599 0.80 POLB (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4551723 0.78 CA1 (0.47) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL12182431 0.76 MAPK1 (0.65) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL17451132 0.75 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL17451125 0.73 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL19288153 0.73 ADORA1 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4551457 0.73 SMN1; SMN2 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17451135 0.73 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL3295887 0.73 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 US disclosed