SCHEMBL28424635

SCHEMBL28424635

CCC/C=C/c1cccc(OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ BCHE P06276 2/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ ALOX5AP P20292 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ TTR P02766 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ IMPDH2 P12268 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP3 P42574 1/20 0.44

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
SCHEMBL4138068 0.89 PPARA (0.47) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL16167358 0.88 CYP3A4 (0.51) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL16167352 0.88 CYP3A4 (0.51) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL28432983 0.87 ACHE (0.51) KDM4ESMN1; SMN2ALDH1A1BCHEALOX5
SCHEMBL6881641 0.85 BCHE (0.52) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL6881643 0.85 BCHE (0.52) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL1711135 0.80 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL1711133 0.80 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL23343707 0.80 CYP3A4 (0.56) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA
SCHEMBL716895 0.80 KMT2A (0.60) KDM4ESMN1; SMN2ALDH1A1CYP3A4LMNA

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-107106526-B Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration 普罗米蒂克医药SMT有限公司 2021-05-28 — — CN disclosed
CN-106999456-B Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis 里米诺生物科学有限公司 2020-07-10 — — CN disclosed
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