SCHEMBL16350296

SCHEMBL16350296

Cc1nc(C(=O)OC2CCCCO2)c(OC2CCCCO2)c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3166464 0.68 PTPN1 (0.36) MEN1KMT2A
SCHEMBL24967885 0.65 MEN1 (0.31) MEN1KMT2A
SCHEMBL14614470 0.64 SCN1A (0.49) MEN1KMT2ALMNA
SCHEMBL12118788 0.62 TSHR (0.40) MEN1KMT2AALDH1A1
SCHEMBL567667 0.62 TSHR (0.40) MEN1KMT2AALDH1A1
SCHEMBL1969195 0.62 MEN1 (0.37) MEN1KMT2AALDH1A1LMNA
SCHEMBL10799911 0.62 SLC6A3 (0.37) MEN1KMT2ALMNANPSR1
SCHEMBL8763246 0.61 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL10807859 0.60 SLC6A3 (0.36) MEN1KMT2ALMNANPSR1
SCHEMBL9354384 0.60 MEN1 (0.41) MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 — — US disclosed
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