SCHEMBL28543786

SCHEMBL28543786

c1ccc(COc2ccc3c4ccccc4c4ccccc4c3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.63
MAOB P27338 11/20 0.62
CTSV O60911 1/20 0.58
CTSL P07711 1/20 0.58
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
CYP2C19 P33261 1/20 0.57
PTGS2 P35354 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HIF1A Q16665 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MAOA P21397 3/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55

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
SCHEMBL27367676 0.80 LMNA (0.82) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL339813 0.80 LMNA (0.82) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL3156910 0.79 ALOX5 (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL9615129 0.79 LMNA (0.64) ALOX5MAOBLMNAMAOAMAPT
SCHEMBL15536042 0.79 CTSV (0.69) ALOX5MAOBCTSVCTSLCYP1A2
SCHEMBL14422827 0.79 CTSV (0.83) ALOX5MAOBCTSVCTSLMAOA
SCHEMBL1268719 0.79 MAOB (0.81) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL4674930 0.78 MEN1 (0.70) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL30629178 0.78 MAOB (1.00) MAOBLMNAMAOAMAPTRAB9A
SCHEMBL26772831 0.78 MAOB (0.80) MAOBMAOARAB9AL3MBTL1ACHE

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-112574010-B Preparation method of triphenylene derivative 上海康鹏科技股份有限公司 2022-11-29 CN disclosed
CN-112574010-A Preparation method of triphenylene derivative 上海康鹏科技股份有限公司 2021-03-30 CN disclosed