SCHEMBL8889685

SCHEMBL8889685

CCS(=O)(=O)c1ccccc1Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
GSK3B P49841 2/20 0.36
KMT2A Q03164 1/20 0.33
NAAA Q02083 5/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
DHODH Q02127 3/20 0.32
CTSB P07858 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE2A O00408 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL8890304 0.91 DHODH (0.34) PTGDR2TAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8890477 0.90 NR3C1 (0.38) CCNE1CDK2GSK3BTAS1R3TAS1R1
SCHEMBL8489199 0.89 NAAA (0.38) NAAATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891781 0.87 DHODH (0.36) KMT2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891637 0.85 LMNA (0.34) CCNE1CDK2GSK3BKMT2ATAS1R3
SCHEMBL8891108 0.84 NR3C1 (0.32) TAS1R3TAS1R1TAS1R2DHODHJAK2
SCHEMBL8892991 0.83 NPC1 (0.38) TAS1R3TAS1R1TAS1R2DHODHPDE2A
SCHEMBL8890973 0.83 NAAA (0.32) NAAAPTGDR2DHODHJAK2JAK1
SCHEMBL8891351 0.83 EPHX2 (0.36) KMT2APTGDR2
SCHEMBL7575147 0.82 DHODH (0.34) TAS1R3TAS1R1TAS1R2DHODHPDE2A

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