SCHEMBL8971371

SCHEMBL8971371

COC(=O)c1ccccc1-c1ccc(COOS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.52
SLC6A4 P31645 3/20 0.52
LTB4R2 Q9NPC1 1/20 0.47
SLC6A2 P23975 1/20 0.47
BCL2L1 Q07817 1/20 0.46
BDKRB1 P46663 6/20 0.44
BRS3 P32247 2/20 0.43
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.40
CSF1R P07333 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
ROCK1 Q13464 1/20 0.40
SLK Q9H2G2 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL8871657 0.89 SLC6A3 (0.53) SLC6A3SLC6A4LTB4R2SLC6A2BCL2L1
SCHEMBL8872298 0.81 SLC6A3 (0.50) SLC6A3SLC6A4LTB4R2SLC6A2BCL2L1
SCHEMBL8873666 0.80 SLC6A3 (0.57) SLC6A3SLC6A4LTB4R2SLC6A2BCL2L1
SCHEMBL8874327 0.79 SLC6A3 (0.56) SLC6A3SLC6A4LTB4R2SLC6A2BCL2L1
SCHEMBL8872457 0.77 TSHR (0.48) LTB4R2BCL2L1KDM4EKMT2A
SCHEMBL14326964 0.77 SLC6A3 (0.69) SLC6A3SLC6A4LTB4R2SLC6A2BDKRB1
SCHEMBL3112718 0.77 SLC6A3 (0.69) SLC6A3SLC6A4LTB4R2SLC6A2BDKRB1
SCHEMBL29979869 0.77 SLC6A3 (0.69) SLC6A3SLC6A4LTB4R2SLC6A2BDKRB1
SCHEMBL7175089 0.76 SLC6A3 (0.63) SLC6A3SLC6A4LTB4R2SLC6A2BDKRB1
SCHEMBL2642187 0.76 SLC6A3 (0.67) SLC6A3SLC6A4LTB4R2SLC6A2BDKRB1

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
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed