SCHEMBL27539264

SCHEMBL27539264

C=Cc1ccccc1S(=O)(=O)NCCc1cccc2c(OCC(=O)O)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TBXA2R P21731 2/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ F10 P00742 3/20 0.40
▸ F2 P00734 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ FABP4 P15090 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ NSD2 O96028 2/20 0.37
▸ PTGIR P43119 1/20 0.36
▸ ACLY P53396 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL27451197 0.81 ACLY (0.47) CASP1TDP1KDM4EALDH1A1HPGD
SCHEMBL8624405 0.79 NSD2 (0.60) TDP1KDM4EALDH1A1HPGDTBXA2R
SCHEMBL11363913 0.78 TBXA2R (0.67) ALDH1A1TBXA2RTBXAS1
SCHEMBL8623913 0.77 KDM4E (0.46) CASP1TDP1KDM4EALDH1A1HPGD
SCHEMBL8625020 0.76 GAA (0.51) CASP1TDP1KDM4EALDH1A1HPGD
SCHEMBL8623133 0.76 TDP1 (0.45) CASP1TDP1KDM4EALDH1A1HPGD
SCHEMBL8623924 0.76 GAA (0.51) CASP1TDP1KDM4EALDH1A1HPGD
SCHEMBL8625004 0.76 KDM4E (0.50) CASP1TDP1KDM4EALDH1A1HPGD
SCHEMBL8625156 0.76 KDM4E (0.50) CASP1TDP1KDM4EALDH1A1HPGD
SCHEMBL17486854 0.74 HTR1B (0.49) KDM4EALDH1A1HPGDHTR6

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
CN-1111612-A Naphthyloxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-11-15 — — CN claimed
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