SCHEMBL14639731

SCHEMBL14639731

CC(=O)N1CCC(=O)C[C@H]1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
BRS3 P32247 1/20 0.32
MTNR1B P49286 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 2/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
HHAT Q5VTY9 1/20 0.31

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
SCHEMBL10174356 1.00 KDM4E (0.34) KDM4EALDH1A1POLBBRS3MTNR1B
SCHEMBL643400 0.79 NR1H3 (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL10174355 0.76 SMN1; SMN2 (0.37) KDM4EALDH1A1POLBMTNR1BSMN1; SMN2
SCHEMBL14639709 0.76 SMN1; SMN2 (0.37) KDM4EALDH1A1POLBMTNR1BSMN1; SMN2
SCHEMBL23488614 0.72 L3MBTL1 (0.43) PIK3CD
SCHEMBL17788020 0.71 OPRK1 (0.35) ALDH1A1POLBMTNR1BSMN1; SMN2HHAT
SCHEMBL3080868 0.71 PREP (0.47) SMN1; SMN2
SCHEMBL15817780 0.70 DPP4 (0.42) POLBBRS3PIK3CDDPP4DPP8
SCHEMBL13218350 0.69 FAP (0.42) DPP4DPP8DPP9
SCHEMBL13532952 0.69 FAP (0.42) DPP4DPP8DPP9

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-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed