SCHEMBL28965845

SCHEMBL28965845

COC(C)(C(=O)O)C(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
SRC P12931 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PTGS1 P23219 2/20 0.37
HTT P42858 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX5 P09917 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL17223812 0.86 KMT2A (0.43) KMT2AATML3MBTL1TSHRCES1
SCHEMBL30659117 0.78 ATM (0.40) KMT2AATML3MBTL1TSHRCES1
SCHEMBL8053595 0.76 CYP2D6 (0.43) KMT2AATML3MBTL1CES1CES2
SCHEMBL28375840 0.76 KMT2A (0.41) KMT2ATSHRCYP2D6ALDH1A1SLC6A4
SCHEMBL173884 0.76 L3MBTL1 (0.43) KMT2AATML3MBTL1CES1CES2
SCHEMBL60355 0.75 KMT2A (0.42) KMT2AATML3MBTL1CES1CES2
SCHEMBL10769467 0.75 KMT2A (0.39) KMT2AATML3MBTL1HTTALDH1A1
SCHEMBL17086696 0.74 SLC6A4 (0.42) KMT2AATML3MBTL1CYP2D6ALDH1A1
SCHEMBL15087920 0.74 SLC6A4 (0.42) KMT2AATML3MBTL1CYP2D6ALDH1A1
SCHEMBL1911313 0.74 SLC6A4 (0.42) KMT2AATML3MBTL1CYP2D6ALDH1A1

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-113576966-B Composition for cosmetics, preparation method and application thereof 长沙黛西生物科技有限公司 2023-03-14 CN disclosed
CN-113576966-A Composition for cosmetics, preparation method and application thereof 长沙黛西生物科技有限公司 2021-11-02 CN disclosed