SCHEMBL27460415

SCHEMBL27460415

CCOP(=O)(COc1ccccc1)c1ccc(CC(C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.45
HDAC8 Q9BY41 1/20 0.44
PTPN1 P18031 2/20 0.42
ATM Q13315 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
BCL2 P10415 1/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
KLK5 Q9Y337 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL8729117 0.86 HDAC8 (0.47) ACACBHDAC8PTPN1ATMITGB3
SCHEMBL27460864 0.82 PTPN1 (0.47) PTPN1CTSK
SCHEMBL8729115 0.82 ADRB3 (0.49) ACACBHDAC8PTPN1ATMITGB3
SCHEMBL8729106 0.82 ADRB3 (0.49) ACACBHDAC8PTPN1ATMITGB3
SCHEMBL8732286 0.79 ACACB (0.49) ACACBHDAC8PTPN1ITGB3ITGA2B
SCHEMBL8729003 0.79 ACACB (0.49) ACACBHDAC8PTPN1ITGB3ITGA2B
SCHEMBL8729119 0.79 ACACB (0.49) ACACBHDAC8PTPN1ITGB3ITGA2B
SCHEMBL27477595 0.78 TAAR1 (0.44)
SCHEMBL14884502 0.77 ACACB (0.47) ACACBHDAC8ITGB3ITGA2B
SCHEMBL3676162 0.77 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB

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
CN-1159797-A Aryloxy and arylthiopropanolamine derivative suseful as beta 3-adrenoreceptor agonists and antagonists of the beta 1 and beta 2-adrenoreceptors and pharmaceutical composition thereof SMITHKLINE BEECHAM PLC (GB) 1997-09-17 CN disclosed