SCHEMBL29125765

SCHEMBL29125765

CCc1cccc(OCCCSCc2n[nH]c(=O)o2)c1CC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NOTUM Q6P988 2/20 0.34
▸ RRM1 P23921 1/20 0.33
▸ RRM2B Q7LG56 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MTNR1B P49286 2/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SORT1 Q99523 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL29125702 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL29128237 0.81 L3MBTL1 (0.32) ALDH1A1MAPTL3MBTL1NPSR1HPGD
SCHEMBL29125923 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTL3MBTL1
SCHEMBL29125744 0.80 ALDH1A1 (0.44) ALDH1A1KDM4ELMNANOTUMSYK
SCHEMBL29126012 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ELMNANOTUMMAPT
SCHEMBL30788482 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ELMNANOTUMMAPT
SCHEMBL29125977 0.77 MAPT (0.38) ALDH1A1NOTUMMAPTPOLBL3MBTL1
SCHEMBL29128328 0.77 MAPT (0.32) ALDH1A1MAPTL3MBTL1NPSR1HPGD
SCHEMBL29125916 0.77 ALDH1A1 (0.63) ALDH1A1KDM4ELMNANOTUMMAPT
SCHEMBL29125790 0.76 ALDH1A1 (0.43) ALDH1A1KDM4ELMNANOTUMSYK

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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