SCHEMBL28575680

SCHEMBL28575680

CC(=O)Nc1cc(C)c(N(C(C)=O)C(C)=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 6/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 5/20 0.40
▸ POLB P06746 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL29819415 1.00 ALDH1A1 (0.43) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL30896999 0.85 ALDH1A1 (0.40) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL29819513 0.82 ALDH1A1 (0.58) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL10306224 0.78 ALDH1A1 (0.54) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL7208168 0.75 ALDH1A1 (0.50) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL774588 0.73 POLB (0.56) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL5888424 0.73 POLB (0.56) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL4259162 0.72 ALDH1A1 (0.47) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL12038215 0.72 ALDH1A1 (0.47) ALDH1A1HPGDNPC1MAPTHTT
SCHEMBL30526799 0.72 ALDH1A1 (0.47) ALDH1A1HPGDNPC1MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045696-B Zero-additive low-odor polymer latex and preparation method thereof 万华化学集团股份有限公司 2022-09-20 — — CN disclosed
CN-113045696-A Zero-additive low-odor polymer latex and preparation method thereof 万华化学集团股份有限公司 2021-06-29 — — CN disclosed
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