SCHEMBL9036684

SCHEMBL9036684

CCCCc1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(CC(=O)O)S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GSK3B P49841 1/20 0.38
KMT2A Q03164 1/20 0.37
LIPG Q9Y5X9 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
APAF1 O14727 3/20 0.35
UCHL1 P09936 1/20 0.35
UCHL3 P15374 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
BCHE P06276 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL9035117 0.97 POLB (0.44) POLBGSK3BKMT2ALIPGSIGMAR1
SCHEMBL9036325 0.96 POLB (0.43) POLBGSK3BKMT2ALIPGSIGMAR1
SCHEMBL9035767 0.94 POLB (0.46) POLBGSK3BKMT2ASIGMAR1APAF1
SCHEMBL9035544 0.90 POLB (0.48) POLBKMT2AAPAF1UCHL1UCHL3
SCHEMBL9036080 0.88 POLB (0.43) POLB
SCHEMBL9036091 0.86 POLB (0.41) POLBGSK3BKDM4E
SCHEMBL9037449 0.86 POLB (0.48) POLBKMT2AAPAF1UCHL1UCHL3
SCHEMBL9035230 0.86 POLB (0.50) POLBKMT2AAPAF1ALDH1A1HSD17B10
SCHEMBL9036968 0.85 S1PR5 (0.41) POLBGSK3B
SCHEMBL9035901 0.85 POLB (0.46) POLBKMT2AAPAF1UCHL1UCHL3

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 3 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
EP-0492667-A1 1,4-Benzothiazine-2-acetic acid derivatives, processes for production thereof and their use THE GREEN CROSS CORPORATION (JP) 1992-07-01 EP disclosed