SCHEMBL8994977

SCHEMBL8994977

CCOC(=N)c1ccc(OCCCCCOc2cc(Cl)c(C(=O)N(C(C)C)C(C)C)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.48
LTB4R2 Q9NPC1 1/20 0.44
SRD5A2 P31213 2/20 0.43
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 3/20 0.41
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
DGAT1 O75907 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4B P0C869 1/20 0.38
ABCB11 O95342 1/20 0.37
THRA P10827 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8994943 0.89 LTB4R (0.50) LTB4RLTB4R2SRD5A2MEN1PKM
SCHEMBL8995036 0.89 LTB4R (0.48) LTB4RLTB4R2SRD5A2MEN1PKM
SCHEMBL8994945 0.87 LTB4R (0.55) LTB4RLTB4R2SRD5A2MEN1KMT2A
Hydrochloric Acid SCHEMBL8995048 0.85 LTB4R (0.63) LTB4RLTB4R2PKMHTTLMNA
SCHEMBL8994878 0.83 LTB4R (0.50) LTB4RLTB4R2SRD5A2MEN1PKM
SCHEMBL8994920 0.82 LTB4R (0.50) LTB4RLTB4R2SRD5A2THRBHTT
SCHEMBL8995079 0.81 LTB4R (0.48) LTB4RLTB4R2MEN1KMT2ATHRB
SCHEMBL8994887 0.80 LTB4R (0.76) LTB4RLTB4R2THRBTSHRPLA2G4B
SCHEMBL8995071 0.80 LTB4R (0.56) LTB4RLTB4R2THRBHTTPLA2G4B
Hydrochloric Acid SCHEMBL8590502 0.79 LTB4R (0.48) LTB4RLTB4R2SRD5A2MEN1PKM

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 3 patents. 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
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed