Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL29142128

CCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.O=S(=O)([O-])Cc1ccccc1

nearest known ligand 0.46

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
DNM1 Q05193 2/20 0.46
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 0.40
CSNK1E P49674 1/20 0.39
KCNH2 Q12809 1/20 0.39
CTRC Q99895 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 1/20 0.38
BDKRB2 P30411 2/20 0.38

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 SCHEMBL4457643 0.98 CNR2 (0.44) CNR2DNM1ALDH1A1HPGDEPHX2
Phenylmethanesulfonic Acid SCHEMBL4464878 0.98 CNR2 (0.44) CNR2DNM1ALDH1A1HPGDEPHX2
Phenylmethanesulfonic Acid SCHEMBL4462473 0.95 ALDH1A1 (0.43) CNR2ALDH1A1HPGDMEN1HTT
Phenylmethanesulfonic Acid SCHEMBL6913609 0.81 DNM1 (0.50) CNR2DNM1ALDH1A1HPGDEPHX2
Hydrochloric Acid SCHEMBL10968743 0.80 NR1I2 (0.52) DNM1ALDH1A1NR1I2BDKRB2
Phenylmethanesulfonic Acid SCHEMBL9812428 0.80 ALDH1A1 (0.41) CNR2DNM1ALDH1A1HPGDEPHX2
SCHEMBL4459089 0.80 NR1I2 (0.55) DNM1ALDH1A1NR1I2
Tetrabuthylammonium SCHEMBL1718182 0.80 DNM1 (0.44) CNR2DNM1ALDH1A1HPGDEPHX2
SCHEMBL4456395 0.80 NR1I2 (0.55) DNM1ALDH1A1NR1I2
Cetrimonium SCHEMBL25264815 0.79 DNM1 (0.51) DNM1MEN1HTTKMT2A

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-116917409-A Epoxy resin composition, semiconductor device, and method for manufacturing semiconductor device 纳美仕有限公司 2023-10-20 CN disclosed