SCHEMBL28619132

SCHEMBL28619132

CC=C(C(=O)OCC)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
CYP19A1 P11511 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL1336621 1.00 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27934857 1.00 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27913601 0.90 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15084647 0.87 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10732850 0.87 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10732842 0.87 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29117706 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6394012 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11274535 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10728016 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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-108567582-B Dentifrice composition 狮王株式会社 2023-04-07 CN disclosed
CN-107875031-B Oral biofilm remover and oral composition 狮王株式会社 2021-08-20 CN disclosed