SCHEMBL5200570

SCHEMBL5200570

CCc1c(O)ccc(CC=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
BACE1 P56817 1/20 0.36
TRPA1 O75762 1/20 0.35
PRKCI P41743 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL17377707 0.87 GABRA1 (0.43) MEN1MAPTKMT2ACYP1A2TSHR
SCHEMBL5198498 0.86 MEN1 (0.50) MEN1MAPTKMT2ACYP1A2TSHR
SCHEMBL3191260 0.84 GABRA1 (0.52) ESR1ESR2GABRA1GABRB2BACE1
SCHEMBL29429347 0.84 GABRA1 (0.52) ESR1ESR2GABRA1GABRB2BACE1
SCHEMBL9806449 0.78 SELL (0.37) HSD17B10ESR1ESR2ALDH1A1KDM4E
SCHEMBL13264060 0.78 ESR1 (0.36) HSD17B10ESR1ESR2GABRA1GABRB2
SCHEMBL5200338 0.77 TYR (0.49) MEN1MAPTKMT2ACYP1A2TSHR
SCHEMBL11116300 0.76 MEN1 (0.40) MEN1MAPTKMT2ACYP1A2TSHR
SCHEMBL28551606 0.75 PRKCI (0.55) MEN1MAPTKMT2ATSHRESR1
SCHEMBL4965632 0.74 TRPA1 (0.53) MEN1MAPTKMT2AHSD17B10ESR1

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