SCHEMBL28358583

SCHEMBL28358583

CCC1CCCCN(C2CCCCCC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
BRCA1 P38398 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP3A4 P08684 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 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
SCHEMBL16560462 0.81 HSD11B1 (0.46) HSD11B1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL28354949 0.79 HSD11B1 (0.43) HSD11B1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL9692949 0.78 NOS3 (0.43) HSD11B1ALDH1A1CYP2C9CYP2C19NOS3
SCHEMBL13074068 0.76 ENO1 (0.41) ALDH1A1CYP2C9CYP2C19MAPTCYP3A4
SCHEMBL10877680 0.76 NOS3 (0.40) ALDH1A1CYP2C9CYP2C19NOS3NOS1
SCHEMBL3475826 0.74 NOS3 (0.39) ALDH1A1CYP2C9CYP2C19NOS3NOS1
SCHEMBL14025940 0.74 PER2 (0.40) ALDH1A1CYP2C9CYP2C19L3MBTL1NOS3
SCHEMBL6294033 0.74 ENO1 (0.42) MAPTCYP3A4NOS3NOS1NOS2
SCHEMBL9321533 0.74 NOS3 (0.39) ALDH1A1CYP2C9CYP2C19NOS3NOS1
SCHEMBL28791541 0.74 TP53 (0.43) HSD11B1ALDH1A1CYP2C9CYP2C19

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-110787300-B Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-09-22 CN claimed
CN-110787300-A Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-02-14 CN claimed
CN-110787300-B Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-09-22 CN disclosed
CN-110787300-A Composition containing sodium hyaluronate and preparation and application thereof 中山万远新药研发有限公司 2020-02-14 CN disclosed