SCHEMBL7938568

SCHEMBL7938568

CC(C)(C)OC(=O)N1CCC(c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
THRB P10828 2/20 0.56
GAA P10253 1/20 0.56
STS P08842 1/20 0.54
GPR119 Q8TDV5 4/20 0.53
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
NAMPT P43490 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL2553555 0.87 GPR119 (0.54) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL1513166 0.86 GPR119 (0.53) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL30233524 0.86 GPR119 (0.53) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL11920838 0.85 GPR119 (0.52) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL4675703 0.84 GPR119 (0.51) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL3436365 0.83 GPR119 (0.58) THRBGPR119KDM4EPKMMAPT
SCHEMBL12712658 0.83 GPR119 (0.50) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL12712661 0.83 SMN1; SMN2 (0.51) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL15637686 0.83 GPR119 (0.50) SMN1; SMN2THRBGAASTSGPR119
SCHEMBL11193650 0.83 GAA (0.56) SMN1; SMN2GAALMNA

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
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed