SCHEMBL3908593

SCHEMBL3908593

CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)CC(C(=O)O)=C(Nc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ GABRA2 P47869 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
SCHEMBL3909896 0.91 LMNA (0.44) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL3899773 0.83 GAA (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3908584 0.82 NPC1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3895804 0.82 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL4098338 0.81 TRPV1 (0.54) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3909913 0.76 MAPT (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3900458 0.75 CASP3 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3909885 0.73 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3895791 0.73 CASP3 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3905204 0.72 NPC1 (0.47) MEN1KMT2AMAPTPOLBRAB9A

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 7 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-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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