SCHEMBL9689060

SCHEMBL9689060

CC(C)(C)OC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NOD1 Q9Y239 10/20 0.41
FOLH1 Q04609 1/20 0.35
GLO1 Q04760 1/20 0.35
PTGS1 P23219 1/20 0.34
GSTK1 Q9Y2Q3 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
SCHEMBL10421162 1.00 KMT2A (0.43) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL7496434 1.00 KMT2A (0.43) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL10421150 1.00 KMT2A (0.43) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL9688654 1.00 KMT2A (0.43) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL9689026 1.00 KMT2A (0.43) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL25481125 0.95 KMT2A (0.42) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL23446816 0.92 KMT2A (0.42) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL24235742 0.89 KMT2A (0.47) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL20492809 0.89 L3MBTL1 (0.42) KMT2APOLBLTA4HL3MBTL1NOD1
SCHEMBL23080922 0.89 LTA4H (0.43) KMT2APOLBLTA4HL3MBTL1NOD1

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-0268377-B1 GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-18 EP disclosed
US-4940713-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-07-10 US disclosed
US-4880812-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-11-14 US disclosed
EP-0268377-A2 Glutamic acid derivatives, processes and intermediates for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1988-05-25 EP disclosed