SCHEMBL4751765

SCHEMBL4751765

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ACACB O00763 8/20 0.47
DRD2 P14416 2/20 0.42
ACACA Q13085 4/20 0.40
PBK Q96KB5 1/20 0.40
EPHX1 P07099 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ATM Q13315 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL4751768 1.00 KMT2A (0.48) KMT2AACACBDRD2ACACAPBK
SCHEMBL12017949 0.85 ACACB (0.49) KMT2AACACBDRD2ACACAPBK
SCHEMBL190838 0.81 KMT2A (0.56) KMT2AACACBDRD2ACACAEPHX1
SCHEMBL3942686 0.81 KMT2A (0.56) KMT2AACACBDRD2ACACAEPHX1
SCHEMBL3816616 0.81 KMT2A (0.56) KMT2AACACBDRD2ACACAEPHX1
SCHEMBL4377073 0.81 KMT2A (0.56) KMT2AACACBDRD2ACACAEPHX1
SCHEMBL5126100 0.81 KMT2A (0.52) KMT2AACACBDRD2ACACAPBK
SCHEMBL11934704 0.79 NPY5R (0.47)
SCHEMBL18534331 0.79 EPHX1 (0.52) KMT2AACACBDRD2ACACAPBK
SCHEMBL14408855 0.79 KMT2A (0.49) KMT2AACACBDRD2ACACAPBK

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
WO-2008134228-A1 BENZOXAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 2008-11-06 WO disclosed