SCHEMBL23214499

SCHEMBL23214499

C=C1OC(=O)C(C)(c2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.45
HCAR3 P49019 2/20 0.45
CYP1A2 P05177 1/20 0.45
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
EGFR P00533 2/20 0.37
DHODH Q02127 1/20 0.36
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
HSD11B1 P28845 1/20 0.35
SIRT1 Q96EB6 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL28548234 0.79 HCAR2 (0.53) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL1694489 0.76 HCAR3 (0.44) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL29223835 0.72 HCAR2 (0.47) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL29161365 0.68 CYP1A2 (0.41) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL9304191 0.68 HCAR3 (0.44) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL23214498 0.68
SCHEMBL6237090 0.67 MMP2 (0.47) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL11414250 0.65 HCAR2 (0.53) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL11881667 0.65 MMP2 (0.41) HCAR2HCAR3CYP1A2MMP2MMP9
SCHEMBL11577071 0.65 MMP2 (0.50) HCAR2HCAR3CYP1A2MMP2MMP9

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
CN-114502603-B Degradable polymeric material 南洋理工大学 2024-12-03 CN disclosed
CN-114502603-A Degradable polymer material 南洋理工大学 2022-05-13 CN disclosed
WO-2021071432-A1 DEGRADABLE POLYMERIC MATERIALS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-04-15 WO disclosed