SCHEMBL3899794

SCHEMBL3899794

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.48
▸ BCHE P06276 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TP53 P04637 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ TLR2 O60603 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ ATM Q13315 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
SCHEMBL3900458 0.86 CASP3 (0.52) DHODHACHEMAPTMEN1KMT2A
SCHEMBL3909913 0.84 MAPT (0.49) DHODHACHEMAPTNPSR1TP53
SCHEMBL3899773 0.84 GAA (0.50) DHODHBCHEACHEMAPTNPSR1
SCHEMBL3895791 0.84 CASP3 (0.54) DHODHMAPTNPSR1TP53MEN1
SCHEMBL3905204 0.82 NPC1 (0.47) DHODHACHEMAPTTP53KDR
SCHEMBL3899783 0.82 EPHX2 (0.45) BCHEACHEAKR1C3AKR1C2TLR2
SCHEMBL3911808 0.80 MAPT (0.52) DHODHBCHEACHEMAPTNPSR1
SCHEMBL5442259 0.76 KDR (0.59) DHODHMAPTNPSR1KDRMEN1
SCHEMBL14985032 0.72 BCHE (0.52) DHODHBCHEACHEMAPTNPSR1
SCHEMBL28249477 0.72 CASP3 (0.77) DHODHBCHEACHEMAPTNPSR1

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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