SCHEMBL7377441

SCHEMBL7377441

CC(C)C[C@@H]([C]=O)NC(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
REN P00797 1/20 0.39
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 6/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP17A1 P05093 2/20 0.34
CYP19A1 P11511 2/20 0.34
CA2 P00918 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL7326205 0.79 ALDH1A1 (0.46) NAAARENALDH1A1SMN1; SMN2NPSR1
SCHEMBL27509909 0.73 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL12296074 0.71 CYP19A1 (0.45) NAAANPC1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL15329358 0.70 NPSR1 (0.44) NAAARENNPC1ALDH1A1SMN1; SMN2
SCHEMBL3819580 0.68 CTSK (0.52) CA2
SCHEMBL2401238 0.68 CTSK (0.52) CA2
SCHEMBL7330719 0.68 REN (0.44) RENALDH1A1
SCHEMBL5607976 0.68 NAAA (0.51) NAAAALDH1A1EPHX2CYP19A1CA2
SCHEMBL22186518 0.67 CYP19A1 (0.46) NAAARENNPC1ALDH1A1SMN1; SMN2
SCHEMBL27928462 0.67 ALDH1A1 (0.60) NAAAALDH1A1SMN1; SMN2EPHX2CYP19A1

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
EP-0393457-A1 Proteinase inhibitor SUNTORY LIMITED (JP) 1990-10-24 EP disclosed