SCHEMBL6689446

SCHEMBL6689446

CC(C)(C)OC(=O)NC(CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
EPHX1 P07099 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
DPP4 P27487 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MMP13 P45452 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41

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
SCHEMBL1439762 0.87 MAPK1 (0.48) GPR119EPHX1MEN1KMT2ADPP4
SCHEMBL1200716 0.86 CTSK (0.44) MEN1KMT2A
SCHEMBL16540611 0.86 CTSK (0.44) MEN1KMT2A
SCHEMBL17938534 0.86 CTSK (0.44) MEN1KMT2A
SCHEMBL16689350 0.84 CTSS (0.45) EPHX1KMT2AALDH1A1
SCHEMBL335784 0.84 BTK (0.46) EPHX1KMT2AL3MBTL1
SCHEMBL336576 0.84 CTSS (0.45) EPHX1KMT2AALDH1A1
SCHEMBL6690998 0.82 CTSS (0.47) EPHX1KMT2AALDH1A1
SCHEMBL1853356 0.82 CTSS (0.47) EPHX1KMT2AALDH1A1
SCHEMBL16681191 0.82 CTSS (0.47) EPHX1KMT2AALDH1A1

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-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed