SCHEMBL5200552

SCHEMBL5200552

CCCc1c(OCc2cccc(Br)n2)ccc(CC=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYSLTR1 Q9Y271 5/20 0.35
GRM2 Q14416 3/20 0.35
CYSLTR2 Q9NS75 3/20 0.33
PDE5A O76074 2/20 0.33
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX15 P16050 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL3164559 0.81 CYSLTR1 (0.52) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5200187 0.75 MEN1 (0.51) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5050181 0.75 CYP1A2 (0.67) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5198754 0.74 MEN1 (0.54) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5198640 0.74 MEN1 (0.54) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5199044 0.74 MEN1 (0.52) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5200365 0.72 MEN1 (0.48) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5200408 0.71 MAPT (0.51) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL5329236 0.69 CYSLTR2 (0.68) MEN1TSHRKMT2ACYP1A2MAPT
SCHEMBL4797423 0.69 MEN1 (0.56) MEN1TSHRKMT2ACYP1A2MAPT

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
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed