SCHEMBL13159792

SCHEMBL13159792

CCCCCCCCOc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(C)cc3)c3cc4c(cc23)C2c3ccccc3C4c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 2/20 0.39
NR5A1 Q13285 1/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
TSHR P16473 2/20 0.37
PLK1 P53350 1/20 0.36
HTR2A P28223 1/20 0.36
PLA2G4B P0C869 2/20 0.36
SLC2A1 P11166 2/20 0.36
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3924700 0.80 LTA4H (0.48) LMNATP53GAARAB9ANPC1
SCHEMBL11111613 0.79 LTA4H (0.53) TP53MAPTLTA4HNR5A1TSHR
SCHEMBL16435786 0.78 NR5A1 (0.58) LMNATP53GAARAB9ANPC1
SCHEMBL10034262 0.77 LTA4H (0.47) TP53LTA4HNR5A1TSHRPLA2G4B
SCHEMBL10034261 0.77 LTA4H (0.47) TP53LTA4HNR5A1TSHRPLA2G4B
SCHEMBL9907228 0.75 TSHR (0.40) LMNATP53GAARAB9ANPC1
SCHEMBL16437774 0.74 RARB (0.55) TP53LTA4HNR5A1TSHRPLA2G4B
SCHEMBL3935979 0.74 LTA4H (0.47) LMNATP53GAARAB9ANPC1
SCHEMBL29390021 0.74 NR5A1 (0.59) LMNATP53GAARAB9ANPC1
SCHEMBL28942158 0.72 LTA4H (0.66) LMNATP53LTA4HNR5A1DRD2

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-7799573-B2 Detection of explosives and other species Normadics, Inc. (US) 2010-09-21 US disclosed
US-20080248578-A1 Detection of explosives and other species NOMADICS, INC. (US) 2008-10-09 US disclosed