SCHEMBL30366354

SCHEMBL30366354

CCC(=O)CCC(=O)CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.38
POLA1 P09884 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
RECQL P46063 1/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL11756126 0.89 TSHR (0.61) TSHRLMNAKDM4EMGAMGAA
SCHEMBL765093 0.87 TSHR (0.68) TSHRLMNAKDM4EMGAMGAA
SCHEMBL4604 0.87
SCHEMBL28280403 0.84 MGAM (0.50) TSHRLMNAKDM4EMGAMGAA
SCHEMBL27939823 0.84 MGAM (0.50) TSHRLMNAKDM4EMGAMGAA
SCHEMBL6560703 0.84 TSHR (0.72) TSHRLMNAKDM4EMGAMGAA
Nitrogen SCHEMBL28396370 0.82 MGAM (0.48) TSHRLMNAKDM4EMGAMGAA
SCHEMBL647475 0.82 TSHR (0.52) TSHRLMNAKDM4EMGAMGAA
SCHEMBL10485430 0.82 MGAM (0.48) TSHRLMNAKDM4EMGAMGAA
SCHEMBL26970658 0.81 TDP1 (0.39) TSHRLMNAKDM4EMGAMGAA

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-106459937-B Method for producing lipase 诺维信公司 2024-09-10 CN disclosed
CN-106232794-B Fabric care compositions comprising polyurethane, polyurea and/or polyurethaneurea polymers 宝洁公司 2023-04-21 CN disclosed