SCHEMBL8733840

SCHEMBL8733840

C[C@H](CC1CCC(P(=O)(O)COc2ccccc2)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
ACACB O00763 3/20 0.39
ACACA Q13085 2/20 0.39
KMT2A Q03164 4/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
MAPK1 P28482 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL8729157 0.82 ACACB (0.46) ACACBACACA
SCHEMBL8733831 0.78 ACACB (0.45) ACACBHDAC8
SCHEMBL507002 0.73 MTNR1A (0.66) CTSKCTSSATMMTNR1AMTNR1B
SCHEMBL30241501 0.73 MTNR1A (0.66) CTSKCTSSATMMTNR1AMTNR1B
SCHEMBL507001 0.73 MTNR1A (0.66) CTSKCTSSATMMTNR1AMTNR1B
SCHEMBL25288585 0.72 CTSS (0.55) CTSKCTSSKMT2AATMMEN1
SCHEMBL8729143 0.72 CYP2C9 (0.44) CTSKCTSSATMHDAC8MTNR1A
SCHEMBL25288584 0.72 CTSS (0.55) CTSKCTSSKMT2AATMMEN1
SCHEMBL8729136 0.72 CYP2C9 (0.44) CTSKCTSSATMHDAC8MTNR1A
SCHEMBL8729117 0.72 HDAC8 (0.47) CTSKCTSSACACBATMHDAC8

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-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed