Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL9806403

CCCCC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])Cc1ccccc1

nearest known ligand 0.41

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.41
FAAH O00519 5/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
HIF1A Q16665 1/20 0.34
FABP3 P05413 1/20 0.34

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
Iodide SCHEMBL10731909 0.82 HIF1A (0.47) EPHX2FAAHCNR1CNR2SOAT2
Iodide SCHEMBL11070153 0.82 HIF1A (0.47) EPHX2FAAHCNR1CNR2SOAT2
Iodide SCHEMBL19032656 0.82 HIF1A (0.47) EPHX2FAAHCNR1CNR2SOAT2
SCHEMBL9631619 0.81 NR1I2 (0.40) EPHX2FAAHCNR1CNR2SOAT2
Iodide SCHEMBL11062979 0.81 SOAT2 (0.46) EPHX2FAAHCNR1CNR2SOAT2
Iodide SCHEMBL11062977 0.81 SOAT2 (0.46) EPHX2FAAHCNR1CNR2SOAT2
Iodide SCHEMBL11067074 0.80 EPHX2 (0.45) EPHX2FAAHCNR1CNR2PPARA
Bromide SCHEMBL8990164 0.80 EPHX2 (0.45) EPHX2FAAHCNR1CNR2PPARA
Iodide SCHEMBL11067078 0.80 EPHX2 (0.45) EPHX2FAAHCNR1CNR2PPARA
Phenylmethanesulfonic Acid SCHEMBL6230993 0.76 CA2 (0.41) FAAHALDH1A1HIF1A

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
EP-0170048-B1 ALIPHATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-17 EP disclosed
EP-0170048-A2 Aliphatic thioethers CIBA-GEIGY AG (CH) 1986-02-05 EP disclosed