SCHEMBL28808541

SCHEMBL28808541

NNC=O.O=C(O)C1=CC=CC(C(=O)O)(c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.33
MAOB P27338 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL6128103 0.89 AKR1C1 (0.37) HDAC9AKR1C1
SCHEMBL29094947 0.77 TSHR (0.39) HDAC9AKR1C1
SCHEMBL27879211 0.75 TSHR (0.32)
SCHEMBL1434701 0.72 HDAC9 (0.34) HDAC9AKR1C1
SCHEMBL28185148 0.69 OPRM1 (0.34) HDAC9AKR1C1
SCHEMBL28794322 0.68 HDAC9 (0.39) HDAC9AKR1C1
Phenylhydrazine SCHEMBL27271292 0.67 LMNA (0.38)
SCHEMBL16470107 0.66 TSHR (0.36)
SCHEMBL9226516 0.66 BCAT2 (0.33) HDAC9
SCHEMBL28468921 0.64 AKR1C1 (0.36) HDAC9AKR1C1

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-114716592-A Propylene polymerization catalyst component, catalyst and preparation method thereof 中国石油天然气股份有限公司 2022-07-08 CN disclosed