SCHEMBL9039488

SCHEMBL9039488

CCOC(=O)CC[C@H](NC(=O)c1cc(N)cs1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DHFR P00374 3/20 0.39
PPID Q08752 1/20 0.38
NOD2 Q9HC29 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PARP1 P09874 1/20 0.36
CCKBR P32239 1/20 0.36

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
SCHEMBL9052574 0.88 L3MBTL1 (0.57) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL1604521 0.88 L3MBTL1 (0.57) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL28301445 0.83 L3MBTL1 (0.51) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL28301446 0.83 L3MBTL1 (0.51) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL27319312 0.79 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6655031 0.79 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL8321601 0.79 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL1143549 0.79 L3MBTL1 (0.59) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL8320541 0.79 L3MBTL1 (0.59) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9601970 0.79 L3MBTL1 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722440-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0722440-A4 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES LILLY CO ELI (US) 1996-06-04 EP disclosed
US-5426110-A Inhibiting dihydrofolate reductase in mammals and treating susceptible reoplasms ELI LILLY AND COMPANY (US) 1995-06-20 US disclosed
WO-1995009845-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1995-04-13 WO disclosed