SCHEMBL31040562

SCHEMBL31040562

COc1cc(C=CCCCCCCCCOCc2ccccc2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 9/20 0.51
MAOA P21397 4/20 0.51
ALOX5 P09917 2/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRNA7 P36544 1/20 0.43
FFAR1 O14842 1/20 0.42
PPARG P37231 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
SCHEMBL31040563 1.00 TDP1 (0.54) TDP1L3MBTL1MAOBMAOAALOX5
SCHEMBL20561263 0.79 L3MBTL1 (0.53) TDP1L3MBTL1
SCHEMBL10961339 0.79 L3MBTL1 (0.53) TDP1L3MBTL1
SCHEMBL8419871 0.78 AHR (0.57) MAOBMAOACHRNA7AHR
SCHEMBL8419872 0.78 AHR (0.57) MAOBMAOACHRNA7AHR
SCHEMBL9763041 0.78 CYP1A1 (0.49) MAOBMAOAALOX5KDM4EMEN1
SCHEMBL9763045 0.78 CYP1A1 (0.49) MAOBMAOAALOX5KDM4EMEN1
SCHEMBL10776841 0.77 TSHR (0.47) TDP1L3MBTL1ALOX5PPARG
SCHEMBL10776843 0.77 TSHR (0.47) TDP1L3MBTL1ALOX5PPARG
SCHEMBL11895950 0.76 L3MBTL1 (0.51) TDP1L3MBTL1

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-118684569-A Synthesis process of irisquinone A 内蒙古医科大学 2024-09-24 CN claimed
CN-118684569-A Synthesis process of irisquinone A 内蒙古医科大学 2024-09-24 CN disclosed