SCHEMBL29125944

SCHEMBL29125944

CCc1ccc(OCSCc2n[nH]c(=O)o2)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.41
▸ MTNR1B P49286 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SYK P43405 2/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ELANE P08246 1/20 0.32

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
SCHEMBL29125851 0.87 ALDH1A1 (0.47) MTNR1BALDH1A1LMNAKDM4ETP53
SCHEMBL29125977 0.84 MAPT (0.38) NOTUMMTNR1BALDH1A1MTNR1ASORT1
SCHEMBL29125926 0.84 NOTUM (0.38) NOTUMMTNR1BALDH1A1MTNR1AKDM4E
SCHEMBL29128276 0.80 DAO (0.34) ALDH1A1KDM4EMAPTHPGDELANE
SCHEMBL29128551 0.75 DAO (0.32) —
SCHEMBL29125689 0.75 NOTUM (0.40) NOTUMMTNR1BALDH1A1LMNAMTNR1A
SCHEMBL29125724 0.74 ALDH1A1 (0.38) NOTUMALDH1A1LMNAKDM4ESYK
SCHEMBL29125884 0.74 ALDH1A1 (0.53) NOTUMALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL29125949 0.74 ALDH1A1 (0.33) MTNR1BALDH1A1LMNAMTNR1AKDM4E
SCHEMBL29125739 0.73 NOTUM (0.43) NOTUMALDH1A1MAPTHPGDRAB9A

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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