SCHEMBL21434327

SCHEMBL21434327

CC(C(N)=O)c1ccc(O)c(-c2cc(C(C)C(N)=O)ccc2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 7/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ RECQL P46063 5/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL29430086 0.86 TDP1 (0.53) APPEPHX1GAAHIF1ATDP1
SCHEMBL28241555 0.86 TDP1 (0.53) APPEPHX1GAAHIF1ATDP1
Hydrochloric Acid SCHEMBL10340416 0.85 KDM4E (0.55) APPEPHX1GAAHIF1ATDP1
SCHEMBL1064971 0.75 EPHX1 (0.60) APPEPHX1GAAHIF1ATDP1
SCHEMBL11651790 0.74 TRPA1 (0.64) ALDH1A1GAAHIF1AALOX12HTT
SCHEMBL15451317 0.74 EPHX1 (0.50) APPEPHX1ALDH1A1GAAHIF1A
SCHEMBL11742573 0.74 APP (0.57) APPALDH1A1HIF1AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL15663072 0.74 EPHX1 (0.58) APPEPHX1GAAHIF1ATDP1
SCHEMBL5673527 0.73 APP (0.53) APPEPHX1ALDH1A1HTTLMNA
SCHEMBL30002874 0.73 APP (0.53) APPEPHX1ALDH1A1HTTLMNA

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-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 — — US disclosed
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