SCHEMBL13409367

SCHEMBL13409367

CC(C)Oc1nc2ccoc2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ ATM Q13315 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BTK Q06187 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL8135245 0.81 ALDH1A1 (0.48) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL13966259 0.78 ATM (0.56) MAPTATMTSHRL3MBTL1BTK
SCHEMBL8272972 0.75 PDE4A (0.33) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL13409366 0.72 TRPA1 (0.39) TRPM8CYP1A2LRRK2
SCHEMBL13169635 0.72 GPR3 (0.55) MAPTTSHRALDH1A1KDM4ECYP1A2
SCHEMBL13966274 0.69 MAPT (0.48) MAPTATMTSHRL3MBTL1BTK
SCHEMBL13966263 0.69 ATM (0.45) MAPTATMTSHRL3MBTL1BTK
SCHEMBL13966260 0.69 HTR4 (0.47) MAPTATMTSHRL3MBTL1BTK
SCHEMBL13224394 0.68 PDE4A (0.32) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL1653524 0.68 TDP1 (0.43) MAPTALDH1A1KDM4EKMT2AMEN1

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
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
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