SCHEMBL8326207

SCHEMBL8326207

CCOC(=O)CC[C@H](NC(=O)c1ccc(NC)s1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
DHFR P00374 3/20 0.39
TYMS P04818 1/20 0.38
NOD2 Q9HC29 2/20 0.38
GART P22102 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
SCHEMBL9556348 1.00 L3MBTL1 (0.52) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL27814132 1.00 L3MBTL1 (0.52) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9555960 0.92 L3MBTL1 (0.51) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9555966 0.92 L3MBTL1 (0.51) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9556169 0.88 L3MBTL1 (0.47) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9556165 0.88 L3MBTL1 (0.47) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL8321601 0.85 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL27319312 0.85 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6655031 0.85 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL2315180 0.84 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957296-B 5- ((alkoxymethylene) amino) thienyl-2-formyl) -L-glutamic acid dialkyl ester and preparation method thereof 南京正大天晴制药有限公司 2022-03-08 CN disclosed
CN-105111197-B Synthesis method of raltitrexed 上海鼎雅药物化学科技有限公司 2021-05-04 CN disclosed
CN-106957311-B Solvate of raltitrexed and preparation method thereof 南京正大天晴制药有限公司 2020-03-31 CN disclosed
EP-0638079-B1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION STANFORD RES INST INT (US) 1999-12-15 EP disclosed
US-5536724-A Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins SRI INTERNATIONAL (US) 1996-07-16 US disclosed
WO-1993022312-A1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION SRI INTERNATIONAL (US) 1993-11-11 WO disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed