SCHEMBL8994933

SCHEMBL8994933

CC(=O)N=NCc1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.43
THRA P10827 1/20 0.43
LTB4R Q15722 2/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.36
ACACB O00763 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MAOB P27338 4/20 0.36
SRD5A2 P31213 1/20 0.36

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
SCHEMBL8994849 0.91 THRB (0.44) THRBTHRALTB4RMEN1PKM
SCHEMBL8995081 0.90 MAOB (0.45) LTB4RMAOB
SCHEMBL8995015 0.87 ATM (0.40) THRBTHRAMEN1KMT2AATM
SCHEMBL8590612 0.85 LTB4R (0.42) THRBTHRALTB4RMEN1PKM
SCHEMBL8995047 0.85 LTB4R (0.47) LTB4RITGB3ITGA2BLTB4R2SRD5A2
SCHEMBL8590372 0.83 PPARA (0.40) LTB4R
SCHEMBL8593369 0.82 FFAR1 (0.40) LTB4R
SCHEMBL8593372 0.81 LTB4R (0.35) THRBTHRALTB4RMEN1PKM
SCHEMBL8994927 0.81 LTB4R (0.47) THRBTHRALTB4RMEN1PKM
SCHEMBL8995044 0.81 MAOB (0.44) LTB4RMAOB

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed