SCHEMBL28910686

SCHEMBL28910686

CCC1(CC)CC(c2ccc(OC(C)=O)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.48
MGLL Q99685 3/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.40
MMP2 P08253 2/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL28542268 0.85 MAPT (0.47) FAAHALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL28541495 0.84 ALDH1A1 (0.40) FAAHMGLLALDH1A1SMN1; SMN2HTT
SCHEMBL28540365 0.84 MAPT (0.46) FAAHALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL28541517 0.84 MMP2 (0.47) ALDH1A1SMN1; SMN2HTTRECQLMMP2
SCHEMBL28551010 0.82 HSD11B1 (0.50) ALDH1A1LMNA
SCHEMBL28547385 0.78 FAAH (0.48) FAAHMGLLALDH1A1SMN1; SMN2HTT
SCHEMBL28534735 0.77 MAPT (0.40) ALDH1A1SMN1; SMN2HTTMAPTMMP2
SCHEMBL28540543 0.77 MMP2 (0.40) FAAHALDH1A1SMN1; SMN2HTTRECQL
SCHEMBL28540550 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTRECQLMAPT
SCHEMBL28542973 0.74 LMNA (0.49) ALDH1A1SMN1; SMN2HTTRECQLMAPT

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-112608269-B Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2022-05-06 CN disclosed
CN-112608269-A Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2021-04-06 CN disclosed