SCHEMBL31379019

SCHEMBL31379019

O=CC[C@H](O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 3/20 0.52
AOC3 Q16853 4/20 0.47
BCAT2 O15382 1/20 0.46
CYP2D6 P10635 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RIPK1 Q13546 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1122682 1.00 KDM4E (0.56) KDM4EL3MBTL1LMNAAOC3BCAT2
SCHEMBL28253375 1.00 KDM4E (0.56) KDM4EL3MBTL1LMNAAOC3BCAT2
SCHEMBL31378998 0.80 CYP1A2 (0.39) CYP2C19
SCHEMBL10372161 0.79 KDM4E (0.48) KDM4EL3MBTL1LMNAAOC3BCAT2
SCHEMBL23258021 0.78 CYP19A1 (0.41) KDM4EL3MBTL1AOC3SMN1; SMN2MAPK1
SCHEMBL7360232 0.78 KDM4E (0.38) KDM4EL3MBTL1CYP2D6CYP2C19
SCHEMBL31378985 0.78 AOC3 (0.47) KDM4EAOC3
SCHEMBL31378981 0.78 AOC3 (0.47) LMNAAOC3CYP2D6CYP2C19
SCHEMBL31379012 0.78 ALDH1A1 (0.40) KDM4ELMNASMN1; SMN2
SCHEMBL31378980 0.78 ALDH1A1 (0.40) KDM4ELMNASMN1; 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 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