SCHEMBL7984198

SCHEMBL7984198

CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(OCCCOc3ccc(CNC(=O)c4ccc(C#N)cc4)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
GPR119 Q8TDV5 6/20 0.50
EPHX2 P34913 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PPARA Q07869 1/20 0.49
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL3929382 0.88 GPR119 (0.56) SMN1; SMN2LMNAKMT2AMEN1CYP2C19
SCHEMBL7983921 0.81 EPHX2 (0.62) HDAC1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL7984857 0.79 EPHX2 (0.65) HDAC1SMN1; SMN2LMNAMAPTEPHX2
SCHEMBL27022355 0.78 ALDH1A1 (0.71) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL2340177 0.77 GPR119 (0.71) GPR119
SCHEMBL7982523 0.77 EPHX2 (0.65) HDAC1SMN1; SMN2LMNAMAPTEPHX2
SCHEMBL5098897 0.76 GPR119 (0.53) HDAC1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL1714269 0.76 GPR119 (0.64) GPR119
SCHEMBL3974111 0.76 EPHX2 (0.49) SMN1; SMN2GPR119EPHX2ALDH1A1PKM
SCHEMBL7989749 0.76 EPHX2 (0.64) HDAC1SMN1; SMN2LMNAMAPTEPHX2

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed