SCHEMBL18513409

SCHEMBL18513409

CCC(C)(C)OC(=O)CCSSCCC(=O)OC(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
FOLH1 Q04609 1/20 0.31
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL18760734 0.92 HDAC3 (0.34) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL142215 0.86 TSHR (0.39) TSHRALDH1A1TDP1KDM6BKDM5C
SCHEMBL13785296 0.83 EGLN1 (0.43) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL1998916 0.82 ALDH1A1 (0.50) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL23895832 0.82 HDAC1 (0.51) TSHRHDAC3HDAC1HDAC2HDAC8
SCHEMBL8011953 0.80 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL12083658 0.80 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL25711507 0.79 TSHR (0.52) TSHRLMNAALDH1A1TDP1
SCHEMBL13564201 0.78 ALDH1A1 (0.33) TSHRALDH1A1TDP1
SCHEMBL17860728 0.78 ALDH1A1 (0.33) TSHRALDH1A1TDP1

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-20170108777-A1 ADDITIVE AND RESIST UNDERLAYER FILM-FORMING COMPOSITION CONTAINING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-04-20 US disclosed
US-20170045820-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION AND METHOD FOR FORMING RESIST PATTERN USING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-16 US disclosed