SCHEMBL3899791

SCHEMBL3899791

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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.39
▸ BCHE P06276 1/20 0.39
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ IDH1 O75874 4/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ CISD2 Q8N5K1 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33

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) ACHEMAPK1KDM4EALDH1A1GAA
SCHEMBL3899768 0.85 ACHE (0.43) ACHEALDH1A1GAAMAPT
SCHEMBL3895790 0.85 ACHE (0.43) ACHEAKR1C3AKR1C2CYP3A4
SCHEMBL3909908 0.85 ACHE (0.44) ACHEMAPK1ALDH1A1MAPTCYP3A4
SCHEMBL3902804 0.83 ALDH1A1 (0.36) ACHEMAPK1KDM4EALDH1A1GAA
SCHEMBL3905199 0.83 SLC6A2 (0.41) ACHEMAPK1KDM4EMAPTCYP3A4
SCHEMBL3908430 0.82 ACHE (0.33) ACHEMAPK1MAPT
SCHEMBL3897271 0.81 JAK3 (0.36) ACHEALDH1A1POLBCYP3A4
SCHEMBL3899783 0.75 EPHX2 (0.45) ACHEBCHEMAPK1KDM4EALDH1A1
SCHEMBL3908589 0.68 NPC1 (0.39) MAPK1KDM4EALDH1A1POLBGAA

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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