SCHEMBL3813611

SCHEMBL3813611

CCOC(=O)c1c(C2CC2)csc1NC(=O)C12CC3CC1C[C@@H](C3)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
MAPK10 P53779 1/20 0.56
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PKM P14618 1/20 0.48
THRB P10828 1/20 0.48
USP2 O75604 1/20 0.48
CNR2 P34972 9/20 0.45
CNR1 P21554 4/20 0.45
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4085846 1.00 MAPK8 (0.56) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL4080526 0.96 MAPK8 (0.52) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL4084849 0.87 CNR2 (0.51) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL3797476 0.87 CNR2 (0.51) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL3799426 0.84 CNR2 (0.40) MAPK8MAPK9MAPK10CNR2CNR1
SCHEMBL4086759 0.84 CNR2 (0.40) MAPK8MAPK9MAPK10CNR2CNR1
SCHEMBL3806688 0.83 CNR2 (0.60) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL4080886 0.83 CNR2 (0.60) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL3756414 0.81 CNR2 (0.64) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL4095706 0.80 TP53 (0.64) KDM4EALDH1A1HPGDLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO disclosed