SCHEMBL29125890

SCHEMBL29125890

CCc1ccc(OC(C)SCc2n[nH]c(=O)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.46
▸ SORT1 Q99523 1/20 0.40
▸ NPC1 O15118 2/20 0.37
▸ MTNR1B P49286 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29126046 0.86 NOTUM (0.43) NOTUMSORT1MTNR1BMTNR1AKDM4E
SCHEMBL29125700 0.82 MTNR1B (0.40) NOTUMSORT1MTNR1BMTNR1AKDM4E
SCHEMBL29126014 0.78 NOTUM (0.41) NOTUMSORT1NPC1MTNR1BRAB9A
SCHEMBL29125875 0.78 NOTUM (0.42) NOTUMSORT1MTNR1BMTNR1AMAPT
SCHEMBL29125835 0.76 NOTUM (0.36) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125884 0.76 ALDH1A1 (0.53) NOTUMNPC1RAB9ALMNAMAPT
SCHEMBL29125920 0.74 ALDH1A1 (0.40) NOTUMSORT1MTNR1BMTNR1AKDM4E
SCHEMBL29125749 0.74 SORT1 (0.38) NOTUMSORT1NPC1MTNR1BRAB9A
SCHEMBL29125914 0.73 SORT1 (0.40) NOTUMSORT1MTNR1BMTNR1AKDM4E
SCHEMBL21961217 0.72 SORT1 (0.61) NOTUMSORT1MTNR1BMTNR1A

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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