SCHEMBL22992425

SCHEMBL22992425

O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(O)N1O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.33
UCHL1 P09936 1/20 0.30
UCHL3 P15374 1/20 0.30
ECE1 P42892 1/20 0.30
MUS81 Q96NY9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL29359822 0.64 CA9 (0.41) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL29202798 0.62 CA9 (0.39) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL18713199 0.60 ALDH1A1 (0.41) UCHL1UCHL3ECE1MUS81ALDH1A1
SCHEMBL1814110 0.58 UCHL1 (0.43) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL7276600 0.56 UCHL1 (0.41) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL21449889 0.55 UCHL1 (0.39) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL24199685 0.55 UCHL1 (0.39) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL1815113 0.55 UCHL1 (0.39) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL7571361 0.55 CA2 (0.41) DUSP3UCHL1UCHL3ECE1MUS81
SCHEMBL20320615 0.54

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-2021027721-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 WO disclosed