SCHEMBL8891528

SCHEMBL8891528

C[S+]([O-])c1ccc(Cl)cc1Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
PDE2A O00408 1/20 0.33
NAMPT P43490 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
POLB P06746 1/20 0.31
PLA2G2A P14555 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DHODH Q02127 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
DRD4 P21917 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8892498 0.93 PTGDR2 (0.33) PTGDR2PDE2AGPBAR1POLBTAS1R3
SCHEMBL8890261 0.90 DHODH (0.33) PDE2ANAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL8891669 0.85 ADRA1D (0.35) PTGDR2GPBAR1POLBTAS1R3TAS1R1
SCHEMBL8891112 0.85 TAS1R3 (0.35) PDE2ANAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL8891457 0.85 NR1H4 (0.35) PTGDR2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL8889886 0.84 HPGD (0.36) PTGDR2GPBAR1POLBTAS1R3TAS1R1
SCHEMBL8899416 0.83 DHODH (0.32) PTGDR2PDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8889996 0.83 SLC6A2 (0.32) PDE2ANAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL7627829 0.83 DHODH (0.34) PDE2ANAMPTGPBAR1TAS1R3TAS1R1
SCHEMBL8891512 0.82 HPGD (0.36) PTGDR2ALDH1A1HTTSMN1; SMN2TDP1

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed