SCHEMBL27416484

SCHEMBL27416484

O=[S+]CCc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
FOLH1 Q04609 1/20 0.32
NAMPT P43490 1/20 0.31
PDE2A O00408 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
EPHX2 P34913 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
CCR5 P51681 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
SCHEMBL8893348 0.87 ALDH1A1 (0.43) DHODHALDH1A1TSHRSCN1ASCN2A
SCHEMBL27392038 0.86 DHODH (0.34) DHODHNAMPTPDE2AEPHX2
SCHEMBL27326177 0.85 DHODH (0.33) DHODHNAMPT
SCHEMBL27286394 0.85 DHODH (0.33) DHODHNAMPT
SCHEMBL27413249 0.83 DHODH (0.35) DHODHTAS1R3TAS1R1TAS1R2FOLH1
SCHEMBL27392891 0.83 DHODH (0.46) DHODHEPHX2
SCHEMBL27293226 0.82 DHODH (0.33) DHODH
SCHEMBL8889700 0.81 TSHR (0.42) DHODHALDH1A1TSHRSCN1ASCN2A
SCHEMBL8890047 0.81 HPGD (0.39) DHODHALDH1A1
SCHEMBL27288098 0.81 DHODH (0.34) DHODHTAS1R3TAS1R1TAS1R2FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN claimed
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN disclosed