SCHEMBL16170751

SCHEMBL16170751

C=CC(=O)Sc1ccc(/C=C/c2ccc(-c3ccc(SC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
TRPM2 O94759 1/20 0.33
LTB4R Q15722 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL16170456 0.94 PTPN1 (0.37) HDAC1PTPN2PTPN1PTPN6MEN1
SCHEMBL16170754 0.90 AKT1 (0.32) MAPT
SCHEMBL16170352 0.90 AKT1 (0.32) MAPT
SCHEMBL16170477 0.90 AKT1 (0.32) MAPT
SCHEMBL16170507 0.88 HDAC3 (0.30) HDAC2HDAC1HDAC6HDAC3HDAC4
SCHEMBL16170752 0.88 HDAC3 (0.30) HDAC2HDAC1HDAC6HDAC3HDAC4
SCHEMBL4857114 0.84 AKT1 (0.36) ALDH1A1LMNAMAPTRAB9A
SCHEMBL4612199 0.83 AKT1 (0.41) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL16170460 0.82 MAPT (0.31) PTPN2PTPN1PTPN6MEN1ALDH1A1
SCHEMBL16170528 0.81 KMT2A (0.39) MEN1ALDH1A1LMNAMAPTRAB9A

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