SCHEMBL3899783

SCHEMBL3899783

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ CFTR P13569 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ CISD2 Q8N5K1 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ MMP2 P08253 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
SCHEMBL1415465 0.83 MEN1 (0.49) ALDH1A1KDM4EPOLBMAPK1BCHE
SCHEMBL3899794 0.82 DHODH (0.48) AKR1C3AKR1C2KDM4EGAABCHE
SCHEMBL1415828 0.81 TDP1 (0.48) AKR1C3AKR1C2ALDH1A1KDM4EPOLB
SCHEMBL1415808 0.80 HTT (0.54) AKR1C3AKR1C2ALDH1A1KDM4EGAA
SCHEMBL1415617 0.80 SLC6A3 (0.49) AKR1C3AKR1C2ALDH1A1POLBGAA
SCHEMBL1415795 0.80 ACHE (0.44) AKR1C3AKR1C2ALDH1A1KDM4EGAA
SCHEMBL3909905 0.79 MAPT (0.53) ALDH1A1POLBGAAMAPK1ACHE
SCHEMBL3902803 0.77 MAPT (0.45) CISD2ALDH1A1KDM4EGAAMAPK1
SCHEMBL3905197 0.77 SLC6A3 (0.52) TRPV1KDM4EACHENPC1RAB9A
SCHEMBL12392802 0.76 ACHE (0.43) AKR1C3AKR1C2ALDH1A1KDM4EPOLB

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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