Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL10341839

N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1.O=S(=O)(O)Cc1ccccc1

nearest known ligand 0.49

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.49
▸ ITGB7 P26010 1/20 0.49
▸ MMP2 P08253 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CTSL P07711 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7737719 0.88 RAB9A (0.55) ITGA4ITGB7MMP2RAB9AMC4R
SCHEMBL6559285 0.87 MMP2 (0.56) ITGA4ITGB7MMP2RAB9AHTT
SCHEMBL6559288 0.87 MMP2 (0.56) ITGA4ITGB7MMP2RAB9AHTT
SCHEMBL10501021 0.82 ITGA4 (0.46) ITGA4ITGB7MMP2RAB9AMAPT
SCHEMBL10500994 0.82 ITGA4 (0.46) ITGA4ITGB7MMP2RAB9AMAPT
SCHEMBL6897867 0.82 ITGA4 (0.46) ITGA4ITGB7MMP2RAB9AMAPT
SCHEMBL10341840 0.81 MMP2 (0.42) ITGA4ITGB7MMP2RAB9AHTT
SCHEMBL16080193 0.80 SLC7A5 (0.62) SLC7A5MEN1KMT2A
SCHEMBL121369 0.80 SLC7A5 (0.62) SLC7A5MEN1KMT2A
SCHEMBL630209 0.80 SLC7A5 (0.62) SLC7A5MEN1KMT2A

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-0156280-B1 PROCESS FOR THE PREPARATION OF PEPTIDE INTERMEDIATES POOR IN RACEMATES, BELONGING TO GONADORELIN AND GONADORELIN ANALOGUES, THEIR SYNTHESIS AND INTERMEDIATES OBTAINED BY THIS PROCESS HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-07 — — EP disclosed
EP-0156280-A2 Process for the preparation of peptide intermediates poor in racemates, belonging to gonadorelin and gonadorelin analogues, their synthesis and intermediates obtained by this process HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-02 — — EP disclosed
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