SCHEMBL5284850

SCHEMBL5284850

COC1(C)CN(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ENPP2 Q13822 2/20 0.42
RCOR1 Q9UKL0 1/20 0.41

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
SCHEMBL5286245 0.89 MGLL (0.47) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL5286950 0.89 MGLL (0.47) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL7818990 0.88 TSHR (0.47) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL5288833 0.87 MGLL (0.49) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL5293166 0.86 MGLL (0.48) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL5282019 0.85 MGLL (0.46) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL5465968 0.83 MGLL (0.46) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL18410284 0.83 NPC1 (0.47) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL5289425 0.82 MGLL (0.45) MGLLPOLBNPC1RAB9AALDH1A1
SCHEMBL4707931 0.82 MGLL (0.47) MGLLPOLBNPC1RAB9AALDH1A1

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-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed