SCHEMBL29125914

SCHEMBL29125914

CC(Oc1c(F)cc(F)cc1F)SCc1n[nH]c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 1/20 0.40
▸ P2RX3 P56373 2/20 0.33
▸ NOTUM Q6P988 4/20 0.33
▸ MTNR1B P49286 2/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29125785 0.85 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL29125875 0.80 NOTUM (0.42) SORT1NOTUMMTNR1BMTNR1AKDM4E
SCHEMBL29126046 0.76 NOTUM (0.43) SORT1NOTUMMTNR1BMTNR1AKDM4E
SCHEMBL29125700 0.75 MTNR1B (0.40) SORT1NOTUMMTNR1BMTNR1AKDM4E
SCHEMBL29125906 0.74 ALDH1A1 (0.43) SORT1NOTUMMTNR1BKDM4EALDH1A1
SCHEMBL29125749 0.74 SORT1 (0.38) SORT1P2RX3NOTUMMTNR1BMTNR1A
SCHEMBL29125800 0.74 P2RX3 (0.39) SORT1P2RX3NOTUMMTNR1B
SCHEMBL29125890 0.73 NOTUM (0.46) SORT1NOTUMMTNR1BMTNR1AKDM4E
SCHEMBL29125681 0.73 LMNA (0.45) SORT1P2RX3NOTUMKDM4EALDH1A1
SCHEMBL29125835 0.71 NOTUM (0.36) SORT1NOTUMMTNR1BMTNR1A

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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