SCHEMBL7987528

SCHEMBL7987528

CC(C)(C)OC(=O)N1CC=C(CCO)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
PDK4 Q16654 1/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 2/20 0.38
GRM5 P41594 2/20 0.38
GRM1 Q13255 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ADORA1 P30542 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
SCHEMBL6956638 0.89 NR1H2 (0.42) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL4532704 0.87 PDK4 (0.46) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL17320490 0.86 USP2 (0.40) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL16086814 0.84 FAAH (0.43) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL7534342 0.84 USP2 (0.39) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL10305538 0.84 USP2 (0.39) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL29120639 0.83 PDK4 (0.40) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL7676561 0.82 NR1H2 (0.40) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL22468365 0.82 NR1H2 (0.39) NR1H2USP2SMN1; SMN2ESR2PDK4
SCHEMBL6952329 0.81 ESR2 (0.39) NR1H2USP2SMN1; SMN2ESR2PDK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed