SCHEMBL2300337

SCHEMBL2300337

CC(C)(C)OC(=O)CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
DPP4 P27487 4/20 0.47
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
CACNA1H O95180 1/20 0.42
TOP2A P11388 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
ALOX15 P16050 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
SCHEMBL2237495 0.85 DPP4 (0.49) EPHX2MEN1MAPK1KMT2ADPP4
SCHEMBL10487757 0.84 EPHX2 (0.42) EPHX2MEN1MAPK1KMT2ADPP4
SCHEMBL7438003 0.82 DPP4 (0.53) EPHX2MEN1KMT2ADPP4TOP2A
SCHEMBL7430443 0.78 EPHX2 (0.52) EPHX2DPP4TOP2A
SCHEMBL5577141 0.78 HSD17B10 (0.45) EPHX2MEN1MAPK1KMT2ADPP4
SCHEMBL21244840 0.76 CACNA1H (0.57) EPHX2MEN1MAPK1KMT2ADPP8
SCHEMBL14696502 0.75 EPHX2 (0.48) EPHX2MEN1MAPK1KMT2ACACNA1H
SCHEMBL12735376 0.74 DPP4 (0.56) EPHX2KMT2ADPP4
SCHEMBL29632942 0.74 EPHX2 (0.57) EPHX2MEN1MAPK1KMT2ACACNA1H
SCHEMBL136224 0.74 KMT2A (0.73) EPHX2MEN1MAPK1KMT2ADPP8

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-2011101861-A1 PROCESS FOR PREPARATION OF DPP-IV INHIBITORS MSN LABORATORIES LIMITED (IN) 2011-08-25 WO disclosed