SCHEMBL3908430

SCHEMBL3908430

COC(=O)C1=C(Nc2ccc(S(=O)(=O)O)cc2)CC(C(=O)OC)C(Nc2ccc(S(=O)(=O)O)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA4 P22748 3/20 0.32
▸ CA7 P43166 3/20 0.32
▸ SNCA P37840 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32
▸ TUBA1A Q71U36 1/20 0.32

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
SCHEMBL3900452 0.86 ACHE (0.45) ACHELMNAMAPK1MAPT
SCHEMBL3895790 0.85 ACHE (0.43) ACHECA1CA2CA4CA7
SCHEMBL3899768 0.85 ACHE (0.43) ACHEMAPT
SCHEMBL3909908 0.85 ACHE (0.44) ACHECYP1A2MAPK1CYP2C19HSD17B10
SCHEMBL3905199 0.83 SLC6A2 (0.41) ACHEBRD4BRD2BRD3LMNA
SCHEMBL3902804 0.83 ALDH1A1 (0.36) ACHEMAPK1HSD17B10MAPT
SCHEMBL3899791 0.82 ACHE (0.39) ACHEMAPK1MAPT
SCHEMBL3897271 0.81 JAK3 (0.36) ACHECYP1A2CYP2C19HSD17B10
SCHEMBL3908426 0.75 MAPT (0.41) CA1CA2SNCATUBB4ATUBB
SCHEMBL3908589 0.68 NPC1 (0.39) MAPK1HSD17B10MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632106-B2 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2009-02-25 — — EP disclosed
EP-0632106-B1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2001-08-22 — — EP disclosed
US-5817817-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1998-10-06 — — US disclosed
US-5659036-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1997-08-19 — — US disclosed
EP-0632106-A1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1995-01-04 — — EP disclosed
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