SCHEMBL8892498

SCHEMBL8892498

C[S+]([O-])c1cc(Cl)ccc1Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.33
P2RX7 Q99572 3/20 0.32
KDM4C Q9H3R0 1/20 0.31
PDE2A O00408 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
POLB P06746 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
DHODH Q02127 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
SCHEMBL8891528 0.93 PTGDR2 (0.36) PTGDR2PDE2AGPBAR1POLBTAS1R3
SCHEMBL8890261 0.91 DHODH (0.33) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8899416 0.89 DHODH (0.32) PTGDR2P2RX7PDE2ATAS1R3TAS1R1
SCHEMBL8891989 0.87 DHODH (0.41) PTGDR2KDM4CDHODH
SCHEMBL8891280 0.85 CYP19A1 (0.33) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8889996 0.85 SLC6A2 (0.32) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL7627829 0.85 DHODH (0.34) PDE2AGPBAR1TAS1R3TAS1R1TAS1R2
SCHEMBL8890320 0.84 DHODH (0.43) DHODH
SCHEMBL8891112 0.84 TAS1R3 (0.35) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891457 0.84 NR1H4 (0.35) PTGDR2P2RX7TAS1R3TAS1R1TAS1R2

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