SCHEMBL7388484

SCHEMBL7388484

CCOc1ccc(C(CC)C(=O)OC2CC(=O)NC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 4/20 0.36
FFAR1 O14842 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7381210 0.92 NPC1 (0.51) NPC1LMNAMAPK1MAPTPKM
SCHEMBL7381276 0.89 GAA (0.42) NPC1CYP19A1CYP17A1MAPTKMT2A
SCHEMBL7381326 0.85 MEN1 (0.44) HTTLMNAMAPK1CYP19A1CYP17A1
SCHEMBL7379863 0.85 MEN1 (0.44) HTTLMNAMAPK1CYP19A1CYP17A1
SCHEMBL7384136 0.85 MEN1 (0.44) HTTLMNAMAPK1CYP19A1CYP17A1
SCHEMBL7387268 0.83 GPBAR1 (0.39) CYP19A1CYP17A1ALDH1A1MEN1KMT2A
SCHEMBL7377871 0.83 PTGS1 (0.40) LMNACYP19A1CYP17A1
SCHEMBL7387023 0.79 KCNQ2 (0.45) TDP1KDM4E
SCHEMBL7385158 0.77 HSD17B10 (0.43) HTTLMNAMAPK1MAPTPKM
SCHEMBL7468058 0.77 LMNA (0.37) HTTLMNAHPGDMAPK1MAPT

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-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US claimed
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US disclosed