SCHEMBL14090854

SCHEMBL14090854

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 11/20 0.41
▸ HSD17B10 Q99714 8/20 0.41
▸ CFTR P13569 1/20 0.41
▸ KDM4E B2RXH2 8/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.37

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 0.80 ALDH1A1 (0.39) MAPTHIF1AGAAALDH1A1HSD17B10
SCHEMBL14090838 0.79 ALDH1A1 (0.39) MAPTHIF1AGAAALDH1A1HSD17B10
SCHEMBL14090840 0.75 ALDH1A1 (0.43) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL5798260 0.72 CYP2C19 (0.46) MAPTHIF1ACYP2C19ALDH1A1HSD17B10
SCHEMBL14090842 0.72 ALDH1A1 (0.53) MAPTGAAALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL6131079 0.71 MAPT (0.52) MAPTHIF1AGAAALDH1A1HSD17B10
SCHEMBL8233747 0.69 ALDH1A1 (0.49) MAPTHIF1AGAAALDH1A1HSD17B10
SCHEMBL23313200 0.68 ALDH1A1 (0.51) MAPTHIF1AGAAALDH1A1HSD17B10
Anthranilic Acid SCHEMBL1424090 0.67 ALDH1A1 (0.62) MAPTGAAALDH1A1HSD17B10CFTR
Anthranilic Acid SCHEMBL28568047 0.67 MAPT (0.57) MAPTGAAALDH1A1HSD17B10CFTR

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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