SCHEMBL3909885

SCHEMBL3909885

COC(=O)C1=C(Nc2ccc(C)cc2Cl)CC(C(=O)OC)=C(Nc2ccc(C)cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ BRD4 O60885 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL3908584 0.87 NPC1 (0.49) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL3909896 0.83 LMNA (0.44) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL3895799 0.77 SLC6A3 (0.37) ALDH1A1MAPTKMT2AHTTKDM4E
SCHEMBL3909891 0.76 TP53 (0.39) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL1415828 0.75 TDP1 (0.48) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL15109832 0.73 RAB9A (0.42) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL2089909 0.72 HPGD (0.70) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL16539818 0.71 BRD4 (0.67) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL1415617 0.71 SLC6A3 (0.49) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL12392802 0.71 ACHE (0.43) ALDH1A1RAB9ANPC1MAPTMEN1

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 8 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
EP-0654472-B1 Process for the production of 6,13-dihydroquinacridones TOYO INK MFG CO (JP) 2000-03-29 — — 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
US-5610306-A ALCOHOL ELIMINATION REACTION OF 2,5-DI(PHENYLAMINO)-3,6--DIHYDROTEREPHTHALIC ACID DIALKYL ESTER; CYCLIZATION TOYO INK MANUFACTURING CO., LTD. (JP) 1997-03-11 — — US disclosed
EP-0654472-A1 Process for the production of 6,13-dihydroquinacridones and apparatus for use for the production TOYO INK MANUFACTURING CO., LTD. (JP) 1995-05-24 — — EP 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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