SCHEMBL8748241

SCHEMBL8748241

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCCOc1ccc(C(N)=NO)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.78
LTB4R2 Q9NPC1 1/20 0.70
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PRSS1 P07477 4/20 0.48
PLA2G4B P0C869 1/20 0.47
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
REN P00797 1/20 0.42
MAOB P27338 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL8748238 1.00 LTB4R (0.78) LTB4RLTB4R2MAPTGAARAB9A
SCHEMBL8747956 1.00 LTB4R (0.78) LTB4RLTB4R2MAPTGAARAB9A
SCHEMBL8747955 1.00 LTB4R (0.78) LTB4RLTB4R2MAPTGAARAB9A
SCHEMBL8747965 0.99 LTB4R (0.76) LTB4RLTB4R2MAPTGAARAB9A
SCHEMBL8747967 0.99 LTB4R (0.76) LTB4RLTB4R2MAPTGAARAB9A
SCHEMBL8994891 0.90 LTB4R (0.75) LTB4RLTB4R2MAPTLMNAPRSS1
SCHEMBL8994930 0.90 LTB4R (0.75) LTB4RLTB4R2MAPTLMNAPRSS1
SCHEMBL8994928 0.89 LTB4R (0.84) LTB4RLTB4R2MAPTLMNAPRSS1
SCHEMBL8994880 0.89 LTB4R (0.74) LTB4RLTB4R2MAPTLMNAPRSS1
SCHEMBL8994893 0.89 LTB4R (0.74) LTB4RLTB4R2MAPTLMNAPRSS1

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
EP-0601977-B1 Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor antagonists CIBA GEIGY AG (CH) 1997-01-22 EP disclosed
US-5455274-A Leukotriene antagonists; treating rheumatoid arthritis CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0601977-A1 Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor anagonists CIBA-GEIGY AG (CH) 1994-06-15 EP disclosed