SCHEMBL5571166

SCHEMBL5571166

O=C(NC(Cc1cc(=O)oc2cc(O)ccc12)C(=O)OCC(Cl)(Cl)Cl)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.66
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ EPHX2 P34913 1/20 0.41
▸ HSD17B3 P37058 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ GRB2 P62993 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ MAPK1 P28482 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
SCHEMBL14456737 0.88 SLC17A5 (0.80) SLC17A5MEN1KMT2AEPHX2HSD17B3
SCHEMBL5622589 0.88 SLC17A5 (0.80) SLC17A5MEN1KMT2AEPHX2HSD17B3
SCHEMBL5049234 0.85 SLC17A5 (0.49) SLC17A5MEN1KMT2AKDM4EALDH1A1
SCHEMBL14456728 0.84 SLC17A5 (0.68) SLC17A5MEN1KMT2AEPHX2HSD17B3
SCHEMBL12647474 0.82 SLC17A5 (0.78) SLC17A5MEN1KMT2AEPHX2HSD17B3
SCHEMBL5276812 0.78 SLC17A5 (0.64) SLC17A5MEN1KMT2AKDM4EALDH1A1
SCHEMBL5622471 0.78 SLC17A5 (0.64) SLC17A5MEN1KMT2AKDM4EALDH1A1
SCHEMBL5622852 0.78 SLC17A5 (0.64) SLC17A5MEN1KMT2AKDM4EALDH1A1
SCHEMBL5571171 0.77 SLC17A5 (0.44) SLC17A5MEN1KMT2AHSD17B3KDM4E
SCHEMBL5050585 0.76 CASP3 (0.53) KMT2A

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 2 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
US-20070031892-A1 Novel coumarin-based amino acids for use in enzyme activity and substrate specificity assays USC 2007-02-08 — — US disclosed
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