SCHEMBL20872178

SCHEMBL20872178

CC(C)(C)OC(=O)COC(=O)CCSSCCC(=O)OCC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PAM P19021 2/20 0.32
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL23895832 0.86 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL126977 0.80 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4774409 0.78 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20872192 0.78 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL179682 0.78 CYP1A2 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12905043 0.77 GAA (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12914655 0.77 RECQL (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28328163 0.77 PAM (0.52) TSHRLMNAALDH1A1PAMPKM
SCHEMBL1584894 0.76 CYP2D6 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18126193 0.76 PAM (0.42) HDAC1HDAC2HDAC6TSHRLMNA

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-11061326-B2 Chemical amplification type positive photosensitive resin composition, a photosensitive dry film, a method for producing a photosensitive dry film, a method for producing a patterned resist film, a method of manufacturing a template with a substrate, and a method of manufacturing a plated shaped product, and a Mercapto compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-07-13 US disclosed
US-20190101825-A1 CHEMICAL AMPLIFICATION TYPE POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, A PHOTOSENSITIVE DRY FILM, A METHOD FOR PRODUCING A PHOTOSENSITIVE DRY FILM, A METHOD FOR PRODUCING A PATTERNED RESIST FILM, A METHOD OF MANUFACTURING A TEMPLATE WITH A SUBSTRATE, AND A METHOD OF MANUFACTURING A PLATED SHAPED PRODUCT, AND A MERCAPTO COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2019-04-04 US disclosed