SCHEMBL23501792

SCHEMBL23501792

CC(C)(C)OOC(=O)CC(O)C(=O)OOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4455662 0.85 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL26927735 0.84 SMN1; SMN2 (0.43) CYP2D6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11431845 0.80 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6662811 0.78 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10434367 0.77 CYP2D6 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22774942 0.77 MMP1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4582388 0.75 CYP2D6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18206451 0.75 CYP2D6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18206852 0.75 CYP2D6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28594105 0.73 ALDH1A1 (0.31) ALDH1A1TSHRHSD17B10TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024143871-A1 COMPOSITION FOR COLORED COATING CONTAINING SILSESQUIOXANE POLYMER BINDER 주식회사 동진쎄미켐 2024-07-04 WO disclosed
WO-2024143872-A1 COATING COMPOSITION CONTAINING SILSESQUIOXANE POLYMER, AND FLEXIBLE DISPLAY FILM 주식회사 동진쎄미켐 2024-07-04 WO disclosed
WO-2021118308-A1 COATING COMPOSITION CAPABLE OF BEING CURED AND THEN THERMOFORMED, AND PLASTIC PRODUCT USING SAME 주식회사 동진쎄미켐 2021-06-17 WO disclosed