SCHEMBL9210982

SCHEMBL9210982

C=CCOC(=O)N1CC(OS(C)(=O)=O)CC1CCc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ITGB1 P05556 3/20 0.33
ITGA5 P08648 3/20 0.33
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
ITGA2B P08514 2/20 0.33
ITGB5 P18084 2/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
FAAH O00519 2/20 0.33
MAPK1 P28482 1/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL8832726 1.00 LMNA (0.36) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9212026 0.85 MMP2 (0.34) LMNACYP19A1ALDH1A1MMP2ANPEP
SCHEMBL8832958 0.85 MMP2 (0.34) LMNACYP19A1ALDH1A1MMP2ANPEP
SCHEMBL9215805 0.83 DRD2 (0.37) CYP19A1MMP2FAAHMGLL
SCHEMBL8834267 0.83 DRD2 (0.37) CYP19A1MMP2FAAHMGLL
SCHEMBL8833376 0.82 SIGMAR1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL9220610 0.82 SIGMAR1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL9025956 0.80 CYP19A1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL9027934 0.80 CYP19A1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL9215991 0.80 ECE1 (0.34) CYP19A1ALDH1A1FAAHMAPK1MGLL

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-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed