SCHEMBL14254615

SCHEMBL14254615

C=CCC(C(=O)N(CCOC)[C@@H](C=C)c1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TNF P01375 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4841502 1.00 ALDH1A1 (0.36) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL4845270 0.85 GAA (0.39) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL4841290 0.83 ALDH1A1 (0.44) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL14254608 0.83 ALDH1A1 (0.44) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL4838845 0.81 ALDH1A1 (0.37) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL14254602 0.81 ALDH1A1 (0.37) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL14254634 0.78 TNF (0.42) ALDH1A1POLBTP53L3MBTL1KMT2A
SCHEMBL4841497 0.75 ALDH1A1 (0.37) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL4838082 0.75 ALDH1A1 (0.37) ALDH1A1GAAPOLBMAPK1HSD17B10
SCHEMBL14254630 0.74 POLB (0.33) ALDH1A1GAAPOLBMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 — — US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 — — US disclosed
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