SCHEMBL16170352

SCHEMBL16170352

C=CC(=O)Sc1ccc(-c2ccc(SC(=O)C=C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.32
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
HAO1 Q9UJM8 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL16170754 1.00 AKT1 (0.32) AKT1BCL2L1BADALDH5A1ABAT
SCHEMBL16170477 1.00 AKT1 (0.32) AKT1BCL2L1BADALDH5A1ABAT
SCHEMBL4857114 0.93 AKT1 (0.36) AKT1ALDH5A1ABATMAPTL3MBTL1
SCHEMBL4612199 0.92 AKT1 (0.41) AKT1MAPT
SCHEMBL16170751 0.90 HDAC2 (0.36) MAPT
SCHEMBL16170711 0.89 ESR1 (0.38) MAPT
SCHEMBL16170650 0.89 ACACB (0.33)
SCHEMBL16170668 0.87 ESR1 (0.37) MAPT
SCHEMBL1023934 0.86 HPGD (0.41) AKT1ALDH5A1ABATMAPTL3MBTL1
SCHEMBL16170341 0.86 MAPT (0.30) MAPTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382353-B2 Polymerizable compound having thioester group, polymerizable composition and liquid crystal display device JNC CORPORATION (JP) 2016-07-05 US disclosed
US-9382353-B2 Polymerizable compound having thioester group, polymerizable composition and liquid crystal display device JNC CORPORATION (JP) 2016-07-05 US disclosed
US-20140306157-A1 POLYMERIZABLE COMPOUND HAVING THIOESTER GROUP, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-10-16 US disclosed
US-20140306157-A1 POLYMERIZABLE COMPOUND HAVING THIOESTER GROUP, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-10-16 US disclosed