SCHEMBL16457697

SCHEMBL16457697

COCCc1cn(CCO)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
SYK P43405 1/20 0.44
THRB P10828 2/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
TRPV3 Q8NET8 1/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
SCN9A Q15858 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL16456980 0.90 THRB (0.42) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL16457367 0.89 TP53 (0.44) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL16457090 0.88 SYK (0.43) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL9927822 0.87 KDM4E (0.44) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL16457441 0.85 KDM4E (0.40) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL16457372 0.84 THRB (0.42) KDM4ETHRBMAPTCNR1GPR119
SCHEMBL16457324 0.84 GPR119 (0.45) KDM4EALDH1A1MEN1KMT2ATHRB
SCHEMBL16457034 0.83 TRPV3 (0.45) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL2063726 0.83 THRB (0.44) KDM4ETHRBMAPTCNR1GPR119
SCHEMBL16457456 0.83 KDM4E (0.40) KDM4EALDH1A1MEN1HPGDKMT2A

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-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed