SCHEMBL6015865

SCHEMBL6015865

CC(C)OCCOc1ccc2[c]c[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 2/20 0.32
HTR1B P28222 3/20 0.31
HTR1A P08908 2/20 0.31
HTR1D P28221 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BACE1 P56817 1/20 0.31
MAOA P21397 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL6015858 0.81 TDP1 (0.33) HTR1BHTR1AHTR1D
SCHEMBL6016024 0.79 MAOA (0.36) NPC1POLBHTR1BHTR1AHTR1D
SCHEMBL6015874 0.79 MAOA (0.41) MAOA
SCHEMBL6345184 0.79 HPGD (0.47) HPGDNPC1POLBRAB9A
SCHEMBL6015813 0.78 KEAP1 (0.46) MAOA
SCHEMBL6015768 0.77 KDM4E (0.47) HTR1BHTR1AHTR1DMAOA
SCHEMBL6015910 0.73 PDE3B (0.49) DYRK1A
SCHEMBL7620982 0.73 HTR1A (0.42) L3MBTL1HTR1BHTR1AHTR1D
SCHEMBL1968319 0.73 MEN1 (0.47) HPGDPOLB
SCHEMBL6015805 0.72 LTA4H (0.56) BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed