SCHEMBL9427946

SCHEMBL9427946

CC(=O)OC1=C(c2ccc(C)cc2)Sc2cc(C)ccc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ EPHX2 P34913 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL10636998 0.83 SNCA (0.49) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL9428199 0.80 NOX1 (0.46) MAPTMEN1KMT2AALDH1A1NOX1
SCHEMBL5020109 0.77 MEN1 (0.49) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL10501378 0.68 MAPT (0.47) MAPTMEN1KMT2AALOX15HSD17B10
SCHEMBL225916 0.65 MAPT (0.59) MAPTMEN1KMT2AALOX15HSD17B10
SCHEMBL29640485 0.65 MAPT (0.59) MAPTMEN1KMT2AALOX15HSD17B10
SCHEMBL9813295 0.63 MAPT (0.44) MAPTMEN1KMT2AALOX15HSD17B10
SCHEMBL2609258 0.62 NOX1 (0.66) MAPTMEN1KMT2AALOX15HSD17B10
SCHEMBL239549 0.61 NOX1 (0.65) MAPTMEN1KMT2AALOX15HSD17B10
SCHEMBL7667435 0.60 MAPT (0.47) MAPTMEN1KMT2AALOX15HSD17B10

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
US-5310904-A Intermediate TANABE SEIYAKU CO., LTD. (JP) 1994-05-10 — — US disclosed
EP-0551076-A1 Process for preparing optically active benzothiazepine compounds by asymmetric reduction TANABE SEIYAKU CO., LTD. (JP) 1993-07-14 — — EP disclosed
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