Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL6669503

CN(C)CCO.O=S(=O)(O)Cc1ccccc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
HSP90AA1 P07900 1/20 0.42
HTR6 P50406 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
PRSS3 P35030 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
Phenylmethanesulfonic Acid SCHEMBL8953479 0.86 TAAR1 (0.46) TAAR1HSP90AA1HTR6CA1CA2
Phenylmethanesulfonic Acid SCHEMBL6671558 0.85 PRSS1 (0.50) HSP90AA1CA1CA2MMP1MMP2
Phenylmethanesulfonic Acid SCHEMBL27960970 0.81 PRSS1 (0.50) HSP90AA1CA1CA2MMP1MMP2
Phenylmethanesulfonic Acid SCHEMBL28194151 0.81 PRSS1 (0.54) HSP90AA1CA1CA2MMP1MMP2
Phenylmethanesulfonic Acid SCHEMBL30217949 0.81 CA2 (0.58) HSP90AA1CA1CA2MMP1MMP2
Phenylmethanesulfonic Acid SCHEMBL28294303 0.81 CA2 (0.58) HSP90AA1CA1CA2MMP1MMP2
Phenylmethanesulfonic Acid SCHEMBL127384 0.81 CA2 (0.58) HSP90AA1CA1CA2MMP1MMP2
Phenylmethanesulfonic Acid SCHEMBL1749 0.81 CA2 (0.58) HSP90AA1CA1CA2MMP1MMP2
Phenylmethanesulfonic Acid SCHEMBL30892409 0.81 CNR2 (0.52) TAAR1SIGMAR1
Phenylmethanesulfonic Acid SCHEMBL28859050 0.79 PRSS1 (0.52) HSP90AA1CA1CA2MMP1MMP2

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
EP-0891400-B1 INK COMPOSITIONS AND METHOD FOR GENERATING IMAGES PRODUCED THEREFROM CABOT CORP (US) 2004-09-08 EP disclosed