SCHEMBL30129888

SCHEMBL30129888

CCCCOC(=O)N1CC(CSCCC)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GBA2 Q9HCG7 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ATM Q13315 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ESR1 P03372 5/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL30075951 0.92 LMNA (0.44) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL30075791 0.91 LMNA (0.49) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL30129889 0.82 LMNA (0.47) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL30075982 0.81 LMNA (0.46) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL4968757 0.80 LMNA (0.53) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL4968751 0.80 LMNA (0.53) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL30129908 0.78 LMNA (0.51) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL30129902 0.78 LMNA (0.51) LMNASMN1; SMN2POLBGBA2ALDH1A1
SCHEMBL23768087 0.78 NR1H2 (0.50) SMN1; SMN2ALDH1A1HPGDNR1H2PDE4D
SCHEMBL29655416 0.77 LMNA (0.50) LMNASMN1; SMN2POLBGBA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103549-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS Syngenta Crop Protection AG (CH) 2022-12-21 — — EP disclosed
Send feedback