SCHEMBL9965481

SCHEMBL9965481

CCCC[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 2/20 0.38
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ELANE P08246 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM1A O60341 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL642245 1.00 ATM (0.45) ATMALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL19097297 0.92 ATM (0.52) ATMALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL21360450 0.86 ATM (0.43) ATMALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3941124 0.86 ATM (0.43) ATMALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5137199 0.84 SMN1; SMN2 (0.40) ATMALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL19390116 0.83 ATM (0.41) ATMALDH1A1KMT2AMEN1PARP1
SCHEMBL29065904 0.82 ATM (0.40) ATMALDH1A1PARP1DDB1CRBN
SCHEMBL3635011 0.81 OPRK1 (0.33) ELANE
SCHEMBL10174353 0.81 ELANE (0.39) KMT2AMEN1ELANE
SCHEMBL9965482 0.81 ELANE (0.39) KMT2AMEN1ELANE

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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed