SCHEMBL24770358

SCHEMBL24770358

CCN(CC)c1ccc2c(CO)c(-c3ccc(N(C)C)cc3)c(=O)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.63
▸ KDM4E B2RXH2 9/20 0.63
▸ ATM Q13315 8/20 0.63
▸ GLA P06280 6/20 0.63
▸ GAA P10253 2/20 0.63
▸ KLK7 P49862 1/20 0.63
▸ MAPT P10636 8/20 0.58
▸ HPGD P15428 8/20 0.58
▸ L3MBTL1 Q9Y468 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ EP300 Q09472 1/20 0.53
▸ HTT P42858 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ HSD17B10 Q99714 6/20 0.49
▸ CASP1 P29466 5/20 0.49
▸ CASP7 P55210 5/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.49

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
SCHEMBL24770623 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EATMGLAGAA
SCHEMBL34420060 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EATMGLAGAA
SCHEMBL11208306 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EATMGLAGAA
SCHEMBL13869309 0.78 ALDH1A1 (0.86) ALDH1A1KDM4EATMGLAGAA
SCHEMBL4390559 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EATMGLAGAA
SCHEMBL8132354 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EATMGLAGAA
SCHEMBL808511 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EATMGLAGAA
SCHEMBL5590828 0.73 ALDH1A1 (0.78) ALDH1A1KDM4EATMGLAGAA
SCHEMBL29569907 0.73 ALDH1A1 (0.77) ALDH1A1KDM4EATMGLAGAA
SCHEMBL28721602 0.73 ALDH1A1 (0.77) ALDH1A1KDM4EATMGLAGAA

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
WO-2022258005-A1 A PHOTORESPONSIVE DELIVERY SYSTEM BASED ON A MODIFIED PAMAM AND METHODS THEREOF THE UNIVERSITY OF HONG KONG (CN) 2022-12-15 — — WO disclosed
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