SCHEMBL3905199

SCHEMBL3905199

COC(=O)C1=C(Nc2ccc(-c3ccccc3)cc2)CC(C(=O)OC)C(Nc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ ACHE P22303 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL3909908 0.93 ACHE (0.44) SLC6A4ACHEMAPTNPC1HPGD
SCHEMBL3900452 0.87 ACHE (0.45) ACHESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3899768 0.86 ACHE (0.43) SLC6A2SLC6A3ACHESMN1; SMN2MAPT
SCHEMBL3895790 0.86 ACHE (0.43) SLC6A3ACHESMN1; SMN2MEN1KMT2A
SCHEMBL3902804 0.84 ALDH1A1 (0.36) ACHESMN1; SMN2MAPTNPC1HPGD
SCHEMBL3899791 0.83 ACHE (0.39) ACHEMAPTKDM4ECYP3A4MAPK1
SCHEMBL3908430 0.83 ACHE (0.33) ACHEMAPTLMNACYP1A2CYP2C19
SCHEMBL3897271 0.82 JAK3 (0.36) ACHESMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL3911811 0.77 ACHE (0.47) ACHEMAPTMEN1KMT2ANPC1
SCHEMBL9065024 0.76 LMNA (0.40) ACHESMN1; SMN2MAPTMEN1KMT2A

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 4 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
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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