SCHEMBL29256396

SCHEMBL29256396

CCCCCCC(C(=O)OC)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.49
TP53 P04637 2/20 0.47
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
MAPT P10636 1/20 0.44
CDC25A P30304 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL9898480 0.89 ALDH1A1 (0.46) ASAH1TP53ALDH1A1HTTKDM4E
SCHEMBL221850 0.89 ALDH1A1 (0.46) ASAH1TP53ALDH1A1HTTKDM4E
SCHEMBL8856843 0.89 ALDH1A1 (0.46) ASAH1TP53ALDH1A1HTTKDM4E
SCHEMBL9899146 0.89 ALDH1A1 (0.46) ASAH1TP53ALDH1A1HTTKDM4E
SCHEMBL4207144 0.89 ALDH1A1 (0.46) ASAH1TP53ALDH1A1HTTKDM4E
SCHEMBL9898512 0.88 ALDH1A1 (0.47) ASAH1TP53ALDH1A1HTTKDM4E
SCHEMBL30278697 0.88 ALDH1A1 (0.48) TP53MDM2ALDH1A1HTTKDM4E
SCHEMBL11773628 0.87 ALDH1A1 (0.55) TP53ALDH1A1HTTKDM4EGLA
SCHEMBL2483573 0.85 HDAC1 (0.52) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL8446739 0.85 TP53 (0.51) TP53MDM2ALDH1A1HTTKDM4E

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
CN-118324649-A Preparation method of 8-amino octanoic acid 宜昌东阳光制药有限公司 2024-07-12 CN disclosed