SCHEMBL9035970

SCHEMBL9035970

CC(C)COc1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(CC(=O)O)S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDGFRA P16234 1/20 0.35
ROCK1 Q13464 1/20 0.35
ABCB11 O95342 1/20 0.35
FFAR1 O14842 3/20 0.35
UCHL1 P09936 1/20 0.35
UCHL3 P15374 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
KMT2A Q03164 1/20 0.35
XIAP P98170 1/20 0.34
CCR2 P41597 2/20 0.34

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
SCHEMBL9491735 0.90 POLB (0.44) POLBMCL1MAOAMAOBABCB11
SCHEMBL9036911 0.90 POLB (0.44) POLBMCL1FFAR1
SCHEMBL9493240 0.88 POLB (0.43) POLBMCL1S1PR1S1PR5HTR2A
SCHEMBL9036080 0.88 POLB (0.43) POLBMCL1S1PR1S1PR5FFAR1
SCHEMBL9493789 0.88 POLB (0.46) POLBMCL1UCHL1UCHL3KMT2A
SCHEMBL9036933 0.87 POLB (0.42) POLBMCL1MAOAMAOBFFAR1
SCHEMBL9036091 0.86 POLB (0.41) POLBS1PR1S1PR5
SCHEMBL9035901 0.86 POLB (0.46) POLBABCB11UCHL1UCHL3PYGL
SCHEMBL9036968 0.86 S1PR5 (0.41) POLBS1PR1S1PR5
SCHEMBL9492918 0.85 POLB (0.43) POLBMCL1S1PR1S1PR5HTR2A

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
EP-0492667-B1 1,4-Benzothiazine-2-acetic acid derivatives, processes for production thereof and their use GREEN CROSS CORP (JP) 1996-04-17 EP disclosed
US-5252571-A 1,4-benzothiazine-2-acetic acid derivatives SAPPORO BREWERIES LIMITED (JP) 1993-10-12 US disclosed