SCHEMBL5301950

SCHEMBL5301950

N#CC=C1CN(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.44
POLB P06746 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ENPP2 Q13822 2/20 0.40
RCOR1 Q9UKL0 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL5283837 0.84 MGLL (0.50) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5289631 0.81 MGLL (0.47) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5288455 0.80 CTSL (0.45) MGLLPOLBCTSLCTSBCTSK
SCHEMBL5288833 0.78 MGLL (0.49) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5300358 0.78 MGLL (0.52) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5290626 0.78 MGLL (0.45) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL18787217 0.78 PRKDC (0.57) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL6208407 0.78 KDM1A (0.49) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5293166 0.78 MGLL (0.48) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL4011941 0.78 MGLL (0.48) MGLLPOLBNPC1ALDH1A1TP53

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