SCHEMBL8748249

SCHEMBL8748249

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(/C(N)=N\O)cc2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MLYCD O95822 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP10 Q53GL7 1/20 0.42
LTB4R Q15722 1/20 0.41
PPARA Q07869 1/20 0.41
ABCB1 P08183 1/20 0.41
SPHK1 Q9NYA1 3/20 0.41
SLC2A1 P11166 2/20 0.41
LSS P48449 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
SCHEMBL8748252 1.00 GAA (0.55) GAARAB9ANPC1LMNATP53
SCHEMBL8747936 0.88 GAA (0.47) GAARAB9ANPC1LMNATP53
SCHEMBL8747934 0.88 GAA (0.47) GAARAB9ANPC1LMNATP53
SCHEMBL8748028 0.87 RAB9A (0.47) GAARAB9ANPC1LMNATP53
SCHEMBL8748025 0.87 RAB9A (0.47) GAARAB9ANPC1LMNATP53
SCHEMBL9699605 0.86 PRMT1 (0.56) RAB9ANPC1LMNAMAPTALOX15
SCHEMBL8748042 0.84 ALDH1A1 (0.50) GAANPC1TP53MAPTMLYCD
SCHEMBL8748258 0.83 GAA (0.63) GAARAB9ANPC1LMNATP53
SCHEMBL8748256 0.83 GAA (0.63) GAARAB9ANPC1LMNATP53
SCHEMBL8994976 0.83 ALDH1A1 (0.52) RAB9ANPC1LMNAMAPTALOX15

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