SCHEMBL29040313

SCHEMBL29040313

Cc1c(N)cccc1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GLA P06280 1/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTGDR2 Q9Y5Y4 5/20 0.47
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
PIK3CA P42336 1/20 0.43
KMT2A Q03164 1/20 0.43
CD69 Q07108 1/20 0.42

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
SCHEMBL5379717 0.87 L3MBTL1 (0.63) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL1706851 0.83 LMNA (0.45) L3MBTL1POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2059383 0.82 POLB (0.58) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL6392895 0.82 KDM4E (0.54) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL2981438 0.82 L3MBTL1 (0.61) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL6746949 0.81 L3MBTL1 (0.56) L3MBTL1POLBSMN1; SMN2GLAKDM4E
Hydrochloric Acid SCHEMBL215800 0.81 KDM4E (0.53) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL1887192 0.79 KMT2A (0.61) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL7654284 0.78 L3MBTL1 (0.55) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL6450398 0.78 L3MBTL1 (0.53) L3MBTL1POLBSMN1; SMN2GLAKDM4E

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-113801200-B Preparation method of carbetocin 浙江湃肽生物有限公司 2023-07-25 CN claimed
CN-113801200-B Preparation method of carbetocin 浙江湃肽生物有限公司 2023-07-25 CN disclosed