SCHEMBL5198633

SCHEMBL5198633

O=CCc1ccc(O)c(I)c1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCI P41743 1/20 0.30

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
SCHEMBL9806449 0.81 SELL (0.37) HSD17B10
SCHEMBL5200338 0.76 TYR (0.49) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL5199656 0.76 MEP1B (0.35) ERN1MEN1CYP1A2MAPTTSHR
SCHEMBL1829471 0.76 ERN1 (0.34) ERN1MEN1CYP1A2MAPTTSHR
SCHEMBL5198649 0.76 CYP3A4 (0.37) ERN1MEN1CYP1A2MAPTTSHR
SCHEMBL1831694 0.74 GABRA1 (0.33)
SCHEMBL5200570 0.73 MEN1 (0.40) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL1829639 0.73 TP53 (0.37) ERN1MEN1CYP1A2MAPTTSHR
SCHEMBL12478909 0.72 ERN1 (0.47) ERN1
SCHEMBL12479023 0.72 ERN1 (0.52) ERN1MEN1MAPTKMT2APRKCI

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 6 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
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
EP-1817296-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
WO-2006057869-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed