SCHEMBL21766058

SCHEMBL21766058

O=CCCC(=O)Nc1ccc(C(=O)O)cc1N1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ G6PD P11413 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ SELL P14151 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
SCHEMBL21766366 0.87 MEN1 (0.34) G6PDALDH1A1HPGDHTTLMNA
SCHEMBL21766269 0.75 DDAH1 (0.41) DDAH1KDM5AG6PDNSD2KEAP1
SCHEMBL17301073 0.70 DDAH1 (0.58) DDAH1G6PDNSD2KEAP1NFE2L2
SCHEMBL10441109 0.70 CYP1A2 (0.54) ALDH1A1MAPTTHRBPOLB
SCHEMBL20945174 0.67 ALDH1A1 (0.58) DDAH1G6PDNSD2KEAP1NFE2L2
SCHEMBL24939676 0.65 MYC (0.56) DDAH1KDM5AG6PDNSD2KEAP1
SCHEMBL14291883 0.65 KMT2A (0.58) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL24939671 0.64 DDAH1 (0.53) DDAH1G6PDNSD2KEAP1NFE2L2
SCHEMBL24938792 0.64 MYC (0.60) DDAH1G6PDNSD2KEAP1NFE2L2
SCHEMBL24939849 0.64 TSHR (0.53) DDAH1G6PDNSD2KEAP1NFE2L2

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
EP-2949343-B1 TRIDENTATE CONNEXON AND USE THEREOF NEWBIO THERAPEUTICS INC (CN) 2020-02-26 — — EP disclosed
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