SCHEMBL4787353

SCHEMBL4787353

CCOC(=O)c1c(C)[nH]c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
ATM Q13315 3/20 0.47
PABPC1 P11940 1/20 0.47
GAA P10253 1/20 0.41
IGF1R P08069 1/20 0.40
NPSR1 Q6W5P4 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 2/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4788212 0.85 ADORA1 (0.52) ADORA1SMN1; SMN2LMNAATMPABPC1
SCHEMBL2078683 0.79 LMNA (0.62) ADORA1SMN1; SMN2LMNAATMPABPC1
SCHEMBL4761427 0.78 ADORA1 (0.51) ADORA1SMN1; SMN2LMNAATMPABPC1
SCHEMBL976854 0.76 ADORA1 (0.48) ADORA1SMN1; SMN2LMNAATMPABPC1
SCHEMBL27302179 0.75 ADORA1 (0.81) ADORA1SMN1; SMN2LMNAATMGAA
SCHEMBL938730 0.75 ADORA1 (0.84) ADORA1SMN1; SMN2LMNAGAAMAPT
SCHEMBL16328025 0.74 ADORA1 (0.56) ADORA1SMN1; SMN2LMNAATMGAA
SCHEMBL21005765 0.74 ADORA1 (0.56) ADORA1SMN1; SMN2LMNAATMGAA
SCHEMBL6868401 0.74 ADORA1 (0.56) ADORA1SMN1; SMN2LMNAATMGAA
SCHEMBL22029691 0.74 ADORA1 (0.51) ADORA1SMN1; SMN2LMNAATMPABPC1

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-2008134354-A1 TNF-α PRODUCTION INHIBITOR ARRAY BIOPHARMA, INC. (US) 2008-11-06 WO disclosed