SCHEMBL28802491

SCHEMBL28802491

COC1=CC(C=Cc2ccccc2)=CC(OC)C1(NC(C)=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GLA P06280 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
EGFR P00533 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
TRPA1 O75762 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL27702925 0.80 TRPA1 (0.40) MAPTKDM4EPOLBLMNAHTT
SCHEMBL8319755 0.65 GLA (0.36) MAPTKDM4EPOLBLMNAHTT
SCHEMBL27390431 0.65 MAPT (0.46) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL3661471 0.64 CMA1 (0.38) MAPTKDM4EPOLBLMNAHTT
SCHEMBL27844868 0.63 TRPA1 (0.38) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
(Z)-1,2-Diphenylethene SCHEMBL7706163 0.61 GLA (0.70) MAPTLMNAALDH1A1GLASMN1; SMN2
(Z)-1,2-Diphenylethene SCHEMBL7706161 0.61 GLA (0.70) MAPTLMNAALDH1A1GLASMN1; SMN2
SCHEMBL7542602 0.60 ALDH1A1 (0.49) MAPTKDM4EPOLBLMNAHTT
(Z)-1,2-Diphenylethene SCHEMBL8417390 0.59 GLA (0.67) MAPTLMNAALDH1A1GLASMN1; SMN2
(Z)-1,2-Diphenylethene SCHEMBL8903561 0.59 GLA (0.67) MAPTLMNAALDH1A1GLASMN1; 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-114796470-A Resveratrol compound and CAR-T cell targeting NKG2D ligand combined preparation of medicine for treating malignant tumor 深圳宾德生物技术有限公司 2022-07-29 CN claimed