SCHEMBL5200178

SCHEMBL5200178

O=CCc1ccc(O)c(-c2ccccc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
CTSG P08311 1/20 0.36
AKR1B1 P15121 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
HTT P42858 2/20 0.33

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
SCHEMBL5199955 0.83 AR (0.36) AKR1B1
SCHEMBL11667000 0.83 AKR1B1 (0.53) ELANEAKR1B1MAPTKDM4EPOLB
SCHEMBL27957739 0.80 GABRA1 (0.48) ELANECTSGPDE4APDE4BPDE4C
SCHEMBL2827860 0.77 GABRA1 (0.50) AKR1B1HDAC4HDAC2HDAC8HDAC6
SCHEMBL27575646 0.77 DPP4 (0.44) ELANECTSGPDE4APDE4BPDE4C
SCHEMBL9806449 0.75 SELL (0.37) ESR1ESR2KDM4ECYP3A4CYP2C9
SCHEMBL5306483 0.74 ALOX5 (0.52) HDAC4HDAC2HDAC8ESR1ESR2
SCHEMBL9812979 0.74 GABRA1 (0.55) AKR1B1HDAC4HDAC2HDAC8ESR2
SCHEMBL28192475 0.74 ELANE (0.51) ELANECTSGPDE4APDE4BPDE4C
SCHEMBL16096807 0.73 ERN1 (0.48) HDAC4HDAC2HDAC8HDAC6PDE4A

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 4 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
WO-2006057860-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