SCHEMBL9199336

SCHEMBL9199336

CNC(=O)N1CC(O)C(NC(=O)c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.49
SLC6A5 Q9Y345 3/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
EZH2 Q15910 1/20 0.47
FAAH O00519 1/20 0.47
CNR2 P34972 1/20 0.47
MAOB P27338 1/20 0.46
EGFR P00533 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL9199330 1.00 MRGPRX4 (0.49) MRGPRX4SLC6A5HDAC3HDAC1HDAC2
SCHEMBL9203806 0.86 CTSK (0.48) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9199093 0.85 USP30 (0.57) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9199101 0.85 USP30 (0.57) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9196648 0.85 USP30 (0.57) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9203223 0.81 ADAM17 (0.52) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9391550 0.81 ADAM17 (0.52) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9195973 0.78 ADAM17 (0.51) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9393104 0.78 ADAM17 (0.51) SLC6A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL9201097 0.77 FAAH (0.53) HDAC3HDAC1HDAC2NCOR2TAOK1

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
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed