SCHEMBL8080168

SCHEMBL8080168

COc1ccccc1/C=C/CCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
NFE2L2 Q16236 3/20 0.52
TFEB P19484 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
BCHE P06276 1/20 0.50
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
ALDH1A1 P00352 4/20 0.48
F7 P08709 2/20 0.48
F3 P13726 2/20 0.48
CYP19A1 P11511 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL8080171 1.00 LTB4R (0.54) LTB4RLTB4R2NFE2L2TFEBMAPT
SCHEMBL3993752 0.88 NFE2L2 (0.58) NFE2L2TFEBMAPTLMNAKDM4E
SCHEMBL3993756 0.88 NFE2L2 (0.58) NFE2L2TFEBMAPTLMNAKDM4E
SCHEMBL10741731 0.87 CYSLTR2 (0.57) LTB4RLTB4R2MAPTLMNAKDM4E
SCHEMBL10741724 0.87 CYSLTR2 (0.57) LTB4RLTB4R2MAPTLMNAKDM4E
SCHEMBL10743272 0.83 CYSLTR2 (0.58) MAPTLMNAKDM4ECYSLTR2CYSLTR1
SCHEMBL10976574 0.83 CYSLTR2 (0.58) MAPTLMNAKDM4ECYSLTR2CYSLTR1
SCHEMBL10743270 0.83 CYSLTR2 (0.58) MAPTLMNAKDM4ECYSLTR2CYSLTR1
SCHEMBL6112991 0.82 NFE2L2 (0.58) LTB4RLTB4R2NFE2L2LMNAKDM4E
SCHEMBL22560160 0.81 LTB4R (0.47) LTB4RLTB4R2NFE2L2TFEBMAPT

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-6048989-A PARASITICIDES AND ANTIBROTOZOA AGENTS WASHINGTON UNIVERSITY (US) 2000-04-11 US disclosed