SCHEMBL8994849

SCHEMBL8994849

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.44
THRA P10827 3/20 0.44
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 0.36
CYP3A4 P08684 1/20 0.36
ACACB O00763 1/20 0.36
TP53 P04637 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
MAOB P27338 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL8994933 0.91 THRB (0.43) THRBTHRALTB4RMEN1PKM
SCHEMBL8995044 0.90 MAOB (0.44) LTB4RMAOB
SCHEMBL8994847 0.82 LTB4R (0.46) THRBTHRALTB4RMEN1PKM
SCHEMBL8995081 0.81 MAOB (0.45) LTB4RMAOB
SCHEMBL8995015 0.78 ATM (0.40) THRBTHRAMEN1KMT2AATM
SCHEMBL8995037 0.78 THRB (0.43) THRBTHRALTB4RMEN1PKM
SCHEMBL8995025 0.77 LTB4R (0.63) LTB4RPKMLTB4R2
SCHEMBL8590612 0.77 LTB4R (0.42) THRBTHRALTB4RMEN1PKM
Hydrochloric Acid SCHEMBL8995059 0.77 THRB (0.43) THRBTHRALTB4RMEN1PKM
SCHEMBL8995036 0.77 LTB4R (0.48) THRBTHRALTB4RMEN1PKM

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