SCHEMBL28301199

SCHEMBL28301199

CC(C)CC(C)(C)C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 3/20 0.33
USP2 O75604 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB3 P13945 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL19359763 0.83 MMP8 (0.37) MMP8
SCHEMBL14950171 0.83 MMP8 (0.37) MMP8
SCHEMBL17878559 0.81 MMP8 (0.40) MMP8MAPT
SCHEMBL12067116 0.79 MMP8 (0.35) MMP8
SCHEMBL132911 0.79 TSHR (0.40) MMP8TSHRMEN1KMT2ALMNA
SCHEMBL11217642 0.79 MMP8 (0.40) MMP8CYP2C19
SCHEMBL236285 0.79 TSHR (0.40) MMP8TSHRMEN1KMT2ALMNA
SCHEMBL1164901 0.79 TSHR (0.40) TSHRMEN1KMT2ALMNAUSP2
SCHEMBL13788287 0.79 MMP8 (0.44) MMP8TSHRCYP2C19SMN1; SMN2
SCHEMBL15083743 0.78 MMP8 (0.37) MMP8TSHRMEN1KMT2ALMNA

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
CN-117222396-A Topical composition comprising (glycosyl) sphingolipids and/or (glycosyl) ceramides 碳码股份公司 2023-12-12 CN disclosed
CN-109890997-A Method for producing thin silicon-containing films 巴斯夫欧洲公司 2019-06-14 CN disclosed