SCHEMBL5329236

SCHEMBL5329236

CCCc1c(OCCCCc2nn[nH]n2)ccc(CC=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.68
CYSLTR1 Q9Y271 10/20 0.68
MEN1 O00255 2/20 0.68
TSHR P16473 2/20 0.68
KMT2A Q03164 2/20 0.68
LMNA P02545 1/20 0.68
GLA P06280 1/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX5 P09917 1/20 0.68
ALOX15 P16050 1/20 0.68
PTGS1 P23219 1/20 0.68
PTGS2 P35354 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GRM2 Q14416 8/20 0.48
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43

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
SCHEMBL6245203 0.84 GRM2 (0.71) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL6243454 0.82 GRM2 (0.56) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL4797423 0.82 MEN1 (0.56) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL6248907 0.81 GRM2 (0.56) CYSLTR2CYSLTR1MEN1TSHRKMT2A
Tomelukast SCHEMBL5325407 0.81 CYSLTR2 (1.00) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL10750616 0.81 MEN1 (0.55) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL9642029 0.80 CYSLTR2 (0.98) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL9643434 0.80 CYSLTR2 (0.98) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL6245616 0.80 MEN1 (0.57) CYSLTR2CYSLTR1MEN1TSHRKMT2A
SCHEMBL6246396 0.80 GRM2 (0.73) CYSLTR2CYSLTR1MEN1TSHRKMT2A

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
WO-2007127791-A2 NEW PHARMACOLOGICAL METHOD FOR TREATMENT OF NEUROPATHIC PAIN THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2007-11-08 WO disclosed