SCHEMBL28756255

SCHEMBL28756255

COC(=O)/C=C/C1c2cc(OC)c(OC)cc2C(=O)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL28942250 0.85 MAPT (0.47) MAPTTP53MEN1KMT2ATDP1
SCHEMBL28756296 0.82 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL28756235 0.72 MDM2 (0.47) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL28756236 0.72 MDM2 (0.47) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL11635586 0.69 ALOX15 (0.51) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL22953395 0.68 ACHE (0.45) MAPTKDM4ESIGMAR1
SCHEMBL10720069 0.67 ALDH1A1 (0.40) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL3744437 0.66 KCNA5 (0.65) TP53KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28756250 0.65 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3750370 0.65 SCN9A (0.48) TP53MEN1KMT2AALDH1A1LMNA

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-114507177-B Method for preparing functionalized 2- (3-oxo-isoindoline-1-subunit) methyl acetate from carbon dioxide 常州大学 2023-11-21 CN disclosed
CN-114507177-A Method for preparing functionalized 2- (3-oxoisoindoline-1-subunit) methyl acetate from carbon dioxide 常州大学 2022-05-17 CN disclosed