SCHEMBL8995075

SCHEMBL8995075

CC(=O)/N=C(\N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)c(O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.48
MAOB P27338 13/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
PPARD Q03181 1/20 0.42
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LSS P48449 1/20 0.39

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
SCHEMBL8995040 0.90 LTB4R (0.46) LTB4RMAOBLTB4R2PPARDGAA
SCHEMBL8994922 0.90 LTB4R (0.46) LTB4RMAOBLTB4R2PPARDGAA
SCHEMBL8994916 0.90 LTB4R (0.46) LTB4RMAOBLTB4R2PPARDGAA
SCHEMBL7717126 0.90 GAA (0.53) LTB4RMAOBLTB4R2PPARDGAA
SCHEMBL8747961 0.90 GAA (0.53) LTB4RMAOBLTB4R2PPARDGAA
SCHEMBL8994927 0.89 LTB4R (0.47) LTB4RLTB4R2GAANPC1LMNA
SCHEMBL8995023 0.88 LTB4R (0.45) LTB4RMAOBLTB4R2PPARDGAA
SCHEMBL8995028 0.88 LTB4R (0.45) LTB4RMAOBLTB4R2PPARDGAA
SCHEMBL8590610 0.87 LTB4R (0.48) LTB4RMAOBLTB4R2GAANPC1
SCHEMBL8995041 0.87 LTB4R (0.54) LTB4RLTB4R2GAANPC1LMNA

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
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