SCHEMBL28530002

SCHEMBL28530002

CCCCCC(=O)OCc1ccccc1.CCCCCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 2/20 0.58
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 1/20 0.55
CETP P11597 3/20 0.54
DGKA P23743 1/20 0.52
PAM P19021 2/20 0.51
EPHX2 P34913 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL135437 1.00 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
Benzyl Tetradecanoate SCHEMBL351857 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL872955 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
Hexadecanoic Acid Benzyl Ester SCHEMBL1356933 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL9802928 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL3836540 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL7564307 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL6832768 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL296362 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL1322235 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112494656-B Insulin receptor partial agonists 默沙东有限责任公司 2024-01-30 CN disclosed
CN-113453724-A Sulfonylmaleimide-based linkers and corresponding conjugates 皮埃尔法布雷医药公司 2021-09-28 CN disclosed
CN-108064173-B Partial insulin receptor agonists 默沙东公司 2021-05-18 CN disclosed
CN-112494656-A Partial insulin receptor agonists 默沙东公司 2021-03-16 CN disclosed