SCHEMBL8994920

SCHEMBL8994920

CCOC(=N)c1ccc(OCCCCCOc2c(Br)cc(C(=O)N(C(C)C)C(C)C)cc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.50
LTB4R2 Q9NPC1 1/20 0.46
KLK1 P06870 1/20 0.41
SRD5A2 P31213 2/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4B P0C869 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PPARG P37231 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LSS P48449 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
SCHEMBL8994945 0.88 LTB4R (0.55) LTB4RLTB4R2SRD5A2HTTGAA
SCHEMBL8994929 0.83 LTB4R (0.62) LTB4RLTB4R2KLK1HTTLMNA
SCHEMBL8994977 0.82 LTB4R (0.48) LTB4RLTB4R2SRD5A2HTTGAA
SCHEMBL8994878 0.82 LTB4R (0.50) LTB4RLTB4R2SRD5A2HTTGAA
SCHEMBL8994943 0.82 LTB4R (0.50) LTB4RLTB4R2SRD5A2HTTGAA
SCHEMBL8995036 0.82 LTB4R (0.48) LTB4RLTB4R2SRD5A2HTTGAA
SCHEMBL8994887 0.81 LTB4R (0.76) LTB4RLTB4R2TSHRPLA2G4BTHRA
SCHEMBL8995079 0.80 LTB4R (0.48) LTB4RLTB4R2TP53THRATHRB
SCHEMBL8995071 0.79 LTB4R (0.56) LTB4RLTB4R2HTTPLA2G4BTHRA
Hydrochloric Acid SCHEMBL8994980 0.78 LTB4R (0.56) LTB4RLTB4R2PLA2G4BTHRATHRB

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