SCHEMBL5592079

SCHEMBL5592079

O=C(Nc1cc(F)c(C2CC(=O)C2(Cl)Cl)c(F)c1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
POLB P06746 1/20 0.45
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL5592127 0.94 KDM1A (0.43) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5592199 0.87 MGLL (0.50) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5592144 0.82 KDM1A (0.51) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL23612075 0.81 MGLL (0.50) MGLLKDM1AMAOAMAOBNPC1
SCHEMBL5592116 0.77 MGLL (0.47) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5592077 0.77 MGLL (0.47) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL5369903 0.76 MGLL (0.49) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL14370633 0.76 MGLL (0.49) MGLLPOLBKDM1AMAOAMAOB
SCHEMBL29988892 0.76 MGLL (0.45) MGLLKDM1AMAOAMAOBNPC1
SCHEMBL5378627 0.76 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