SCHEMBL9035901

SCHEMBL9035901

CC(C)Cc1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(CC(=O)O)S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.38
APAF1 O14727 3/20 0.36
ABCB11 O95342 2/20 0.36
UCHL1 P09936 1/20 0.36
UCHL3 P15374 1/20 0.36
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
ALDH1A1 P00352 1/20 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
CES1 P23141 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
SCHEMBL9035544 0.89 POLB (0.48) POLBKMT2AAPAF1ABCB11UCHL1
SCHEMBL9035564 0.88 POLB (0.48) POLBKMT2AAPAF1ABCB11UCHL1
SCHEMBL9035767 0.87 POLB (0.46) POLBKMT2AAPAF1ABCB11UCHL1
SCHEMBL9037449 0.87 POLB (0.48) POLBKMT2AAPAF1UCHL1UCHL3
SCHEMBL9035230 0.86 POLB (0.50) POLBKMT2AAPAF1ALDH1A1TP53
SCHEMBL9491735 0.86 POLB (0.44) POLBKMT2AABCB11UCHL1UCHL3
SCHEMBL9035970 0.86 POLB (0.42) POLBKMT2AABCB11UCHL1UCHL3
SCHEMBL9036748 0.85 POLB (0.46) POLBKMT2AAPAF1ABCB11UCHL1
SCHEMBL9036684 0.85 POLB (0.45) POLBKMT2AAPAF1UCHL1UCHL3
SCHEMBL9035499 0.85 POLB (0.48) POLBKMT2AAPAF1ALDH1A1TP53

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