SCHEMBL3911811

SCHEMBL3911811

CCOC(=O)C1=C(Nc2ccccc2)CC(C(=O)OCC)C(Nc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.47
▸ MAPT P10636 4/20 0.44
▸ BCHE P06276 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ILK Q13418 1/20 0.42
▸ NPEPPS P55786 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL9065024 0.89 LMNA (0.40) ACHEMAPTBCHEMEN1KMT2A
SCHEMBL10393718 0.87 TSHR (0.40) ACHEMAPTLMNAMAPK1HSD17B10
SCHEMBL10394075 0.86 ALDH1A1 (0.39) ACHEMAPTBCHELMNAHSD17B10
SCHEMBL3909908 0.83 ACHE (0.44) ACHEMAPTNPEPPSMAPK1HSD17B10
SCHEMBL3905199 0.77 SLC6A2 (0.41) ACHEMAPTMEN1KMT2ALMNA
SCHEMBL3900452 0.75 ACHE (0.45) ACHEMAPTMEN1KMT2AGAA
SCHEMBL3911808 0.75 MAPT (0.52) ACHEMAPTBCHEMEN1KMT2A
SCHEMBL8022715 0.74 MAPT (0.50) ACHEMAPTMEN1KMT2AGAA
SCHEMBL28825748 0.73 HPGD (0.41) ACHEMAPTMEN1KMT2AGAA
SCHEMBL17040938 0.73 MAPT (0.54) ACHEMAPTBCHEMEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235647-B1 PROCESS FOR THE MANUFACTURE OF 6,13-DIHYDROQUINACRIDONES AND QUINACRIDONES BAYER AG (DE) 1993-09-29 — — EP claimed
US-4812568-A Process for the preparation of 6,13-dihydroquinacridones and quinacridones BAYER AKTIENGESELLSCHAFT (DE) 1989-03-14 — — US claimed
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
US-5659076-A Process for the production of 2,5-dianilino-terephthalic acids DSM CHEMIE LINZ GMBH (AT) 1997-08-19 — — US disclosed
US-5491255-A Process for the transesterification of dimethyl succinylsuccinate CHEMIE LINZ GMBH (AT) 1996-02-13 — — 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
US-4981997-A Process for the preparation of 2,5-diarylaminoterephthalic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 — — US disclosed
US-4956464-A Cyclization, dehydrogenation in the vapor phase or solid phase in the presence of an oxidizer BASF AKTIENGESELLSCHAFT (DE) 1990-09-11 — — US disclosed
US-4812568-A Process for the preparation of 6,13-dihydroquinacridones and quinacridones BAYER AKTIENGESELLSCHAFT (DE) 1989-03-14 — — US disclosed
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