SCHEMBL14090838

SCHEMBL14090838

C/C=C(\c1ccccc1N)C(C)(C)CC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.39
▸ HSD17B10 Q99714 8/20 0.39
▸ CFTR P13569 1/20 0.39
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 10/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 7/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.32

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
SCHEMBL14090843 0.81 ALDH1A1 (0.39) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL14090840 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL14090854 0.79 MAPT (0.42) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL14090842 0.70 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL14899721 0.69 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL14090841 0.67 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRTSHRMAPT
Anthranilamide SCHEMBL4393217 0.66 ALDH1A1 (0.52) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL23313200 0.66 ALDH1A1 (0.51) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL14088039 0.65 MAPT (0.47) ALDH1A1HSD17B10CFTRTSHRMAPT
SCHEMBL20880393 0.65 PTGS1 (0.40) ALDH1A1HSD17B10CFTRTSHRMAPT

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-7410951-B2 Biologically active peptides and compositions, their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-08-12 — — US disclosed
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