SCHEMBL16170652

SCHEMBL16170652

C=CC(=O)Sc1ccc(-c2ccc(/C=C/COc3ccc(SC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
PPARA Q07869 6/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 4/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL16170531 1.00 KMT2A (0.36) KMT2ANPC1RAB9ATP53PPARA
SCHEMBL16170537 0.97 NPC1 (0.38) KMT2ANPC1RAB9ATP53PPARA
SCHEMBL16170526 0.93 KMT2A (0.40) KMT2ANPC1RAB9ATP53PPARA
SCHEMBL16170528 0.91 KMT2A (0.39) KMT2ANPC1RAB9ATP53PPARA
SCHEMBL16170515 0.90 KMT2A (0.42) KMT2ANPC1RAB9ATP53PPARA
SCHEMBL16170516 0.87 KMT2A (0.41) KMT2ANPC1RAB9ATP53PPARA
SCHEMBL16170752 0.85 HDAC3 (0.30)
SCHEMBL16170507 0.85 HDAC3 (0.30)
SCHEMBL16170460 0.81 MAPT (0.31) KMT2ANPC1RAB9ATP53MEN1
SCHEMBL16170341 0.81 MAPT (0.30) MAPT

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