SCHEMBL10341840

SCHEMBL10341840

Cc1cccc(S(=O)(=O)O)c1O.N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.42
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 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
SCHEMBL6559288 0.82 MMP2 (0.56) MMP2ITGA4ITGB7RAB9AHTT
SCHEMBL6559285 0.82 MMP2 (0.56) MMP2ITGA4ITGB7RAB9AHTT
Phenylmethanesulfonic Acid SCHEMBL10341839 0.81 ITGA4 (0.49) MMP2ITGA4ITGB7RAB9AHTT
SCHEMBL6897867 0.79 ITGA4 (0.46) MMP2ITGA4ITGB7RAB9AALDH1A1
SCHEMBL10501021 0.79 ITGA4 (0.46) MMP2ITGA4ITGB7RAB9AALDH1A1
SCHEMBL10500994 0.79 ITGA4 (0.46) MMP2ITGA4ITGB7RAB9AALDH1A1
SCHEMBL10499174 0.77 DPP8 (0.44) MMP2ITGA4ITGB7RAB9AALDH1A1
SCHEMBL7737719 0.77 RAB9A (0.55) MMP2ITGA4ITGB7RAB9ASMN1; SMN2
SCHEMBL6141190 0.76 SLC15A1 (0.45) RAB9AALDH1A1POLBNPC1
SCHEMBL10668464 0.76 SLC15A1 (0.45) RAB9AALDH1A1POLBNPC1

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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