SCHEMBL4649693

SCHEMBL4649693

CC(C)(C)OC(=O)C=Cc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
SLC6A2 P23975 1/20 0.48
TBXAS1 P24557 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
NFE2L2 Q16236 3/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 3/20 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
SCHEMBL4649691 1.00 MAOB (0.51) MAOBLMNAHTTNR1I2PGR
SCHEMBL5474591 0.88 LMNA (0.53) MAOBLMNAHTTNR1I2PGR
SCHEMBL5474595 0.88 LMNA (0.53) MAOBLMNAHTTNR1I2PGR
SCHEMBL30200945 0.86 MCL1 (0.54) MAOBLMNAHTTNR1I2PGR
SCHEMBL13845315 0.83 CYP2C9 (0.40) MAOBLMNAHTTNR1I2PGR
SCHEMBL4056507 0.83 CYP2C9 (0.40) MAOBLMNAHTTNR1I2PGR
SCHEMBL4056505 0.83 CYP2C9 (0.40) MAOBLMNAHTTNR1I2PGR
SCHEMBL15630823 0.83 LMNA (0.43) MAOBLMNAHTTNR1I2PGR
SCHEMBL11833868 0.82 MAPT (0.59) MAOBLMNAHTTNR1I2PGR
SCHEMBL5468473 0.82 LMNA (0.49) MAOBLMNAHTTNR1I2PGR

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-1368287-B1 PROCESS FOR A HOMOGENEOUSLY CATALYZED C-C COUPLING REACTION DSM IP ASSETS BV (NL) 2008-03-26 EP disclosed