SCHEMBL31378985

SCHEMBL31378985

O=CC[C@H](O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
KDM4E B2RXH2 3/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
IGF1R P08069 2/20 0.40
IDO1 P14902 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HTT P42858 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL23493182 0.82 AOC3 (0.44) AOC3KDM4EGABBR2GABBR1IGF1R
SCHEMBL31378998 0.81 CYP1A2 (0.39) IGF1RCYP1A2
SCHEMBL13619654 0.80 AOC3 (0.44) AOC3KDM4EGABBR2GABBR1SIGMAR1
SCHEMBL31378980 0.79 ALDH1A1 (0.40) KDM4EHTTCYP2C9
SCHEMBL7647207 0.79 AOC3 (0.52) AOC3KDM4EGABBR2GABBR1IGF1R
SCHEMBL31378981 0.79 AOC3 (0.47) AOC3GABBR2GABBR1IDO1HDAC4
SCHEMBL23258021 0.79 CYP19A1 (0.41) AOC3KDM4EIDO1
SCHEMBL7104502 0.79 AOC3 (0.47) AOC3KDM4EGABBR2GABBR1IGF1R
SCHEMBL21353855 0.79 AOC3 (0.47) AOC3KDM4EGABBR2GABBR1IGF1R
SCHEMBL31379012 0.79 ALDH1A1 (0.40) KDM4EHTTCYP2C9

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-119409676-A Preparation method for synthesizing chiral beta-hydroxy propanal ethylene glycol with high enantioselectivity 贵州金之键高科技材料股份有限公司 2025-02-11 CN disclosed