SCHEMBL8994927

SCHEMBL8994927

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.47
LTB4R2 Q9NPC1 1/20 0.43
THRB P10828 4/20 0.42
THRA P10827 1/20 0.42
GAA P10253 3/20 0.40
RAB9A P51151 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
HSD17B10 Q99714 1/20 0.40
SRD5A2 P31213 1/20 0.39
SLC2A1 P11166 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8994847 0.90 LTB4R (0.46) LTB4RLTB4R2THRBTHRAGAA
SCHEMBL8995075 0.89 LTB4R (0.48) LTB4RLTB4R2GAARAB9ANPC1
SCHEMBL8995008 0.87 NR1H4 (0.39) LTB4RLTB4R2THRBTHRARAB9A
SCHEMBL8590610 0.86 LTB4R (0.48) LTB4RLTB4R2THRBTHRAGAA
SCHEMBL8995041 0.86 LTB4R (0.54) LTB4RLTB4R2GAARAB9ANPC1
SCHEMBL8995025 0.85 LTB4R (0.63) LTB4RLTB4R2RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL8995049 0.85 LTB4R (0.62) LTB4RLTB4R2RAB9ANPC1LMNA
SCHEMBL8590368 0.82 LTB4R (0.44) LTB4RLTB4R2GAARAB9ANPC1
SCHEMBL8593367 0.82 LTB4R (0.46) LTB4RLTB4R2GAARAB9ANPC1
SCHEMBL8994933 0.81 THRB (0.43) LTB4RLTB4R2THRBTHRASRD5A2

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