SCHEMBL5592077

SCHEMBL5592077

CC1(F)CC(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
POLB P06746 1/20 0.46
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
RCOR1 Q9UKL0 1/20 0.45
ENPP2 Q13822 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5592116 0.91 MGLL (0.47) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5592094 0.89 MGLL (0.46) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5592144 0.83 KDM1A (0.51) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL4310186 0.81 MGLL (0.48) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5286245 0.80 MGLL (0.47) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5592090 0.78 MGLL (0.53) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5369903 0.77 MGLL (0.49) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL14370633 0.77 MGLL (0.49) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5592079 0.77 MGLL (0.47) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5378627 0.77 MGLL (0.51) MGLLPOLBKDM1AMAOAMAOB

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-2007004032-A1 OXAZOLIDIONES CONTAINING CYCLOBUTANE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed