SCHEMBL11085841

SCHEMBL11085841

Nc1c(CC(=O)O)cccc1[S+]([O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ ABCB11 O95342 2/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CXCL8 P10145 4/20 0.36
▸ AKR1B10 O60218 1/20 0.36
▸ UGT1A9 O60656 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ MT-CO2 P00403 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ UGT1A6 P19224 1/20 0.36
▸ UGT1A1 P22309 1/20 0.36
▸ CXCR1 P25024 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
SCHEMBL11092982 0.88 — —
SCHEMBL11090380 0.76 — —
SCHEMBL7583347 0.76 AKR1B1 (0.58) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL11195204 0.74 G6PD (0.40) LMNATDP1HPGDMMP2MMP9
SCHEMBL2209914 0.73 CD44 (0.35) TDP1CYP2C9HPGDCYP2C19
SCHEMBL11094485 0.72 CYP3A4 (0.50) PTGS2PTGS1CYP2C9
SCHEMBL25941101 0.72 AKR1B1 (0.53) AKR1B1PTGS2ABCB11PTGS1TDP1
SCHEMBL1000848 0.71 PTGS2 (0.53) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL28287356 0.70 AKR1B1 (0.67) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL11051064 0.69 AKR1B1 (0.50) AKR1B1PTGS2ABCB11PTGS1LMNA

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
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 — — US disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 — — EP disclosed
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