SCHEMBL6821603

SCHEMBL6821603

O=C(OCCCCCCCCCCCO)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.81
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7295237 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896278 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL10790013 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896258 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL913237 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL14723101 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL9712789 1.00 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL27972999 0.98 TDP1 (0.79) TDP1LMNAALDH1A1MAPK1HIF1A
Potassium SCHEMBL29767441 0.98 TDP1 (0.79) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL49966 0.98 TDP1 (0.85) TDP1LMNAALDH1A1MAPK1HIF1A

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
WO-2004052872-A1 HALOALKENE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-24 WO disclosed
WO-1997009295-A1 MESOGENIC METALLIC COMPLEXES, PROCESS FOR POLYMERIZING THESE COMPLEXES AND ANISOTROPIC POLYMERS OBTAINED THEREBY COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1997-03-13 WO disclosed