SCHEMBL28859968

SCHEMBL28859968

C=CCC(NC(=O)c1ccc(C)cc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.46
▸ TAS1R1 Q7RTX1 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP26A1 O43174 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5760015 0.88 PKM (0.53) TAS1R3TAS1R1MAPTKMT2ASMN1; SMN2
SCHEMBL12985219 0.82 MEN1 (0.50) TAS1R3TAS1R1MAPTMEN1KMT2A
SCHEMBL12985221 0.82 MEN1 (0.50) TAS1R3TAS1R1MAPTMEN1KMT2A
SCHEMBL25496208 0.80 TAS1R3 (0.61) TAS1R3TAS1R1MAPT
SCHEMBL28859967 0.80 DHODH (0.46) MAPTMEN1KMT2ASMN1; SMN2SLC6A2
SCHEMBL16502236 0.78 L3MBTL1 (0.49) TAS1R3TAS1R1MAPTMEN1KMT2A
SCHEMBL29237327 0.78 CYP26A1 (0.46) TAS1R3TAS1R1MAPTMEN1KMT2A
SCHEMBL16509378 0.78 L3MBTL1 (0.61) MAPTMEN1KMT2ASMN1; SMN2CYP26A1
SCHEMBL15663043 0.77 ALDH1A1 (0.49) MAPTHPGDALDH1A1L3MBTL1
SCHEMBL15663046 0.77 ALDH1A1 (0.49) MAPTHPGDALDH1A1L3MBTL1

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-114874105-A Preparation method of visible light and water promoted homoallylic amine compound 大连理工大学 2022-08-09 — — CN disclosed
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