SCHEMBL31294032

SCHEMBL31294032

CCc1cccc2c1C(=O)c1ccc(C)cc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.62
MAOA P21397 2/20 0.50
MAOB P27338 1/20 0.50
POLB P06746 1/20 0.50
NQO1 P15559 1/20 0.49
POR P16435 1/20 0.49
LCK P06239 1/20 0.49
MAPT P10636 8/20 0.49
MAPK1 P28482 7/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
NPC1 O15118 3/20 0.49
TDP1 Q9NUW8 5/20 0.45
TNF P01375 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
HTT P42858 2/20 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
SCHEMBL83136 0.84 ADORA2A (0.53) ELANEMAOAMAOBMAPTMAPK1
SCHEMBL10883505 0.82 MAOA (0.48) ELANEMAOAMAOBMAPTMAPK1
SCHEMBL6761959 0.81 ELANE (0.69) ELANEMAOAMAOBPOLBNQO1
Anthracene SCHEMBL28422390 0.80 L3MBTL1 (0.47) ELANEMAOAMAPTMAPK1ALDH1A1
SCHEMBL29405931 0.79 ELANE (0.69) ELANEMAOAMAOBPOLBLCK
SCHEMBL14174532 0.79 ADORA2A (0.68) ELANEMAOAMAOBPOLBLCK
SCHEMBL30610015 0.79 ELANE (0.65) ELANEMAOAMAOBPOLBLCK
SCHEMBL30610009 0.79 ELANE (0.69) ELANEMAOAMAOBPOLBLCK
SCHEMBL29435136 0.79 ELANE (0.69) ELANEMAOAMAOBPOLBLCK
SCHEMBL30610034 0.79 ADORA2A (0.68) ELANEMAOAMAOBPOLBLCK

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-118806746-A Application of 1, 8-dihydroxy-3-succinic acid monoethyl ester-6-methylanthraquinone in preparation of anti-liver cancer drugs 哈尔滨医科大学 2024-10-22 CN claimed
CN-118806746-A Application of 1, 8-dihydroxy-3-succinic acid monoethyl ester-6-methylanthraquinone in preparation of anti-liver cancer drugs 哈尔滨医科大学 2024-10-22 CN disclosed