SCHEMBL5051764

SCHEMBL5051764

CCOP(=O)(OCC)Oc1ccc2c(CC(C(=O)O)N(C(=O)OC)C3c4ccccc4-c4ccccc43)cc(=O)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ LCK P06239 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SLC17A5 Q9NRA2 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ IGLV6-57 P01721 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
SCHEMBL5051765 0.78 SLC17A5 (0.58) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL5571171 0.73 SLC17A5 (0.44) MEN1KMT2AKDM4ELCKALDH1A1
SCHEMBL5049234 0.72 SLC17A5 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30229497 0.70 SDCBP (0.37) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL25179578 0.69 PPARG (0.39) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL30767804 0.69 PPARG (0.39) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL4575653 0.69 MAPT (0.34) LMNANPSR1POLB
SCHEMBL4600067 0.69 CTRB1 (0.40) ALDH1A1HTT
SCHEMBL4600752 0.69 CTRB1 (0.40) ALDH1A1HTT
SCHEMBL30510366 0.69 CTRB1 (0.40) ALDH1A1HTT

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
US-9045507-B2 Coumarin-based amino acids for use in enzyme activity and substrate specificity assays UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-06-02 — — US disclosed
EP-1946102-A1 COUMARIN-BASED AMINO ACIDS FOR USE IN ENZYME ACTIVITY AND SUBSTRATE SPECIFICITY ASSAYS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-07-23 — — EP disclosed
US-20070031892-A1 Novel coumarin-based amino acids for use in enzyme activity and substrate specificity assays USC 2007-02-08 — — US disclosed
WO-2007014326-A1 COUMARIN-BASED AMINO ACIDS FOR USE IN ENZYME ACTIVITY AND SUBSTRATE SPECIFICITY ASSAYS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-02-01 — — WO disclosed
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