SCHEMBL5176253

SCHEMBL5176253

O=C(c1ccccc1)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccc(-c2cc(-c3ccc(C(=O)c4ccccc4)cc3)cc(-c3ccc(C(=O)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
EGFR P00533 1/20 0.50
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ATM Q13315 2/20 0.47
CDC25B P30305 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SRD5A2 P31213 1/20 0.47
KMO O15229 1/20 0.46

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
SCHEMBL303062 0.87 ALDH1A1 (0.56) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL5141928 0.85 ALDH1A1 (0.59) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL133482 0.85 RAB9A (0.72) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL1666498 0.85 ALDH1A1 (0.59) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL27448850 0.81 ALDH1A1 (0.59) MAPTRAB9AMEN1LMNAKMT2A
Benzene SCHEMBL28384085 0.81 RAB9A (0.78) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL13534566 0.81 RAB9A (0.78) MAPTRAB9AMEN1LMNAKMT2A
Benzophenone SCHEMBL28231198 0.81 RAB9A (0.78) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL41657 0.81 RAB9A (0.78) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL28246134 0.81 RAB9A (0.78) MAPTRAB9AMEN1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746905-A1 OXYGEN SCAVENGING FILM WITH CYCLIC OLEFIN COPOLYMER Cryovac, Inc. (US) 2007-01-31 EP disclosed
WO-2005107502-A1 OXYGEN SCAVENGING FILM WITH CYCLIC OLEFIN COPOLYMER CRYOVAC, INC. (US) 2005-11-17 WO disclosed