SCHEMBL27984648

SCHEMBL27984648

CC(C)(C)NC(=O)O[C@H](CO)CC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSH P09668 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ CTSK P43235 1/20 0.32

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
SCHEMBL29068145 0.80 CTSK (0.42) CNR2MEN1KMT2ASMN1; SMN2CTSL
SCHEMBL28290423 0.76 LMNA (0.49) CNR2MEN1KMT2A
SCHEMBL1066498 0.73 CTSS (0.40) MEN1KMT2AHPGDSMN1; SMN2USP2
SCHEMBL2700635 0.73 CTSS (0.40) MEN1KMT2AHPGDSMN1; SMN2USP2
SCHEMBL10290412 0.72 LMNA (0.54) CNR2MEN1KMT2ASMN1; SMN2USP2
SCHEMBL26009956 0.71 HPGD (0.45) CNR2MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL29273401 0.70 PRKCA (0.38) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL27834087 0.70 CPB2 (0.45) MEN1KMT2ACTSLCTSBCTSH
SCHEMBL28680208 0.69 PRKCA (0.37) —
SCHEMBL29271806 0.69 PRKCA (0.37) —

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
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 — — CN disclosed
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