SCHEMBL3908437

SCHEMBL3908437

CCOC(=O)C1=C(Nc2ccc(S(=O)(=O)O)cc2)CC(C(=O)O)=C(Nc2ccc(S(=O)(=O)O)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ NHERF1 O14745 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 1/20 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
SCHEMBL3900458 0.86 CASP3 (0.52) ALDH1A1KMT2AMEN1CASP3MAPT
SCHEMBL3909913 0.84 MAPT (0.49) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL3899773 0.84 GAA (0.50) ALDH1A1HPGDKMT2AMEN1CASP3
SCHEMBL3895791 0.84 CASP3 (0.54) ALDH1A1KMT2AMEN1LMNACASP3
SCHEMBL3905204 0.82 NPC1 (0.47) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL3908426 0.82 MAPT (0.41) ALDH1A1HPGDCA2CA1CA9
SCHEMBL3899794 0.81 DHODH (0.48) KMT2AMEN1CASP3MAPTNPSR1
SCHEMBL3911808 0.80 MAPT (0.52) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4098338 0.77 TRPV1 (0.54) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL1415514 0.72 AKR1C3 (0.46) ALDH1A1HPGDKMT2AMEN1MAPT

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
Send feedback