SCHEMBL9727892

SCHEMBL9727892

CCOC(=O)C(C)(CC)C(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.44
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.37
PIN1 Q13526 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
CYP1A2 P05177 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL7512223 0.84 MMP8 (0.52) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL15109683 0.83 MMP8 (0.44) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL3166224 0.83 MMP8 (0.47) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL3343065 0.80 MMP8 (0.48) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL9247690 0.79 TSHR (0.40) ALDH1A1MEN1KMT2ATHRBCYP1A2
SCHEMBL2316349 0.78 MMP8 (0.47) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL16045497 0.77 MEN1 (0.46) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL7455283 0.75 MMP8 (0.44) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL130722 0.75 CYP4F2 (0.55) MMP8CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL17617190 0.73 ALDH1A1 (0.44) MMP8CYP4F2CYP4A11ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072369-A1 EMBOSSING LACQUERS COMPRISING ALIPHATIC PHOTOINITIATORS, AND BIO-BASED MICROSTRUCTURE SYSTEMS JOANNEUM RESEARCH FORSCHUNGSGESELLSCHAFT MBH (AT) 2023-05-04 WO disclosed
CN-108164733-A Apply flour bag and preparation method thereof 蒙诺苏尔有限公司 2018-06-15 CN disclosed
CN-1212317-C Novel ester or amide derivatives YAMANOUCHI PHARMA CO LTD (JP) 2005-07-27 CN disclosed
CN-1449384-A Novel ester or amide derivatives YAMANOUCHI PHARMA CO LTD (JP) 2003-10-15 CN disclosed
US-5140013-A Shelf life; polymerization inhibition; nontoxic; side effects reduction UNIVERSITE LAVAL (CA) 1992-08-18 US disclosed
WO-1991008775-A2 MALEIC ANHYDRIDE DERIVATIVES USED AS CONJUGATION AGENTS OF ANTI-TUMOR AGENTS ON DESIRED CARRIERS UNIVERSITE LAVAL (CA) 1991-06-27 WO disclosed