SCHEMBL5576932

SCHEMBL5576932

O=C(O)Cc1cccc(OF)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
PPARD Q03181 1/20 0.49
FFAR1 O14842 1/20 0.49
PLA2G4B P0C869 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.47
CTBP2 P56545 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
SRD5A2 P31213 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL15042279 0.82 MEP1B (0.54) AKR1B1PPARDFFAR1PLA2G4BPTGDR2
SCHEMBL29824310 0.81 PTGS1 (0.67) PTGDR2CTBP2CYP1A2PTGS1AKR1C3
SCHEMBL28629916 0.81 AKR1B1 (0.52) AKR1B1PPARDFFAR1PLA2G4BPTGDR2
SCHEMBL229067 0.81 PTGS1 (0.67) PTGDR2CTBP2CYP1A2PTGS1AKR1C3
SCHEMBL415441 0.81 FFAR1 (0.68) AKR1B1FFAR1PTGDR2AKR1C3SRD5A2
SCHEMBL25081992 0.81 PLA2G4B (0.62) AKR1B1PPARDFFAR1PLA2G4BCYP4F2
SCHEMBL14825001 0.81 AKR1B1 (0.52) AKR1B1PPARDFFAR1PLA2G4BPTGDR2
SCHEMBL30278809 0.81 PLA2G4B (0.62) AKR1B1PPARDFFAR1PLA2G4BCYP4F2
SCHEMBL761677 0.81 MAPK14 (0.54) FFAR1
SCHEMBL25081990 0.80 PLA2G4B (0.68) PPARDFFAR1PLA2G4BKDM4EPOLB

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
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed