SCHEMBL16170490

SCHEMBL16170490

C=CC(=O)Sc1ccc(C#Cc2ccc(SC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL16170508 0.96 ACACB (0.33) ACACBKDM4EMEN1ALDH1A1HPGD
SCHEMBL16170582 0.96 ACACB (0.33) ACACBKDM4EMEN1ALDH1A1HPGD
SCHEMBL16170361 0.89 HPGD (0.41) ACACBKDM4EMEN1ALDH1A1HPGD
SCHEMBL16170471 0.88 FFAR1 (0.35) ACACBFFAR1
SCHEMBL16170470 0.88 FFAR1 (0.35) ACACBFFAR1
SCHEMBL16170574 0.87 ACACB (0.35) ACACBKDM4EMEN1ALDH1A1HPGD
SCHEMBL16170472 0.87 ACACB (0.35) ACACBFFAR1
SCHEMBL16170746 0.87 ACACB (0.35) ACACBFFAR1
SCHEMBL16170584 0.86
SCHEMBL16170491 0.86

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