SCHEMBL5592199

SCHEMBL5592199

O=C(Nc1ccc(C2CC(=O)C2(Cl)Cl)c(F)c1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 1/20 0.47
KDM1A O60341 3/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 2/20 0.46
ENPP2 Q13822 2/20 0.46
SCD O00767 1/20 0.45
RCOR1 Q9UKL0 2/20 0.45
KDM1B Q8NB78 1/20 0.44
PTPN1 P18031 1/20 0.44
POLB P06746 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
SCHEMBL23612075 0.90 MGLL (0.50) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5592079 0.87 MGLL (0.47) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL29988892 0.84 MGLL (0.45) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5592097 0.83 MGLL (0.54) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL30089372 0.82 SCD (0.44) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL23612218 0.82 SCD (0.44) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5592127 0.82 KDM1A (0.43) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5592090 0.80 MGLL (0.53) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5592154 0.78 MGLL (0.54) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5730852 0.78 MGLL (0.54) MGLLNPC1ALDH1A1TP53MAPT

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