SCHEMBL9036748

SCHEMBL9036748

CCC(C)c1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(CC(=O)O)S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
APAF1 O14727 3/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.35
ABCB11 O95342 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
SCHEMBL9035564 0.91 POLB (0.48) POLBAPAF1KMT2ATP53ALDH1A1
SCHEMBL9035544 0.86 POLB (0.48) POLBAPAF1KMT2ATP53ALDH1A1
SCHEMBL9037449 0.86 POLB (0.48) POLBAPAF1KMT2ATP53ALDH1A1
SCHEMBL9035901 0.85 POLB (0.46) POLBAPAF1KMT2ATP53ALDH1A1
SCHEMBL9036933 0.85 POLB (0.42) POLBKMT2AALDH1A1MCL1UCHL1
SCHEMBL9036928 0.85 POLB (0.45) POLBAPAF1KMT2ATP53ALDH1A1
SCHEMBL9035767 0.84 POLB (0.46) POLBAPAF1KMT2ATP53ALDH1A1
SCHEMBL9035230 0.84 POLB (0.50) POLBAPAF1KMT2ATP53ALDH1A1
SCHEMBL9491735 0.84 POLB (0.44) POLBKMT2ATP53MAPTMCL1
SCHEMBL9038327 0.83 POLB (0.53) POLBTSHRSMN1; SMN2

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