SCHEMBL9216047

SCHEMBL9216047

C=CCOC(=O)N1CC(O)CC1CCCc1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.37
SIGMAR1 Q99720 1/20 0.32
CYP19A1 P11511 1/20 0.30

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
SCHEMBL9027564 0.79 POLB (0.33) SIGMAR1CYP19A1
SCHEMBL9369510 0.77 SIGMAR1 (0.32) SIGMAR1CYP19A1
SCHEMBL9369640 0.75 CYP19A1 (0.32) SIGMAR1CYP19A1
SCHEMBL7142298 0.74 ECE1 (0.41) TBXAS1CYP19A1
SCHEMBL9218673 0.73 SIGMAR1 (0.33) SIGMAR1CYP19A1
SCHEMBL8833539 0.73 SIGMAR1 (0.33) SIGMAR1CYP19A1
SCHEMBL8833195 0.73 LMNA (0.40) TBXAS1
SCHEMBL9369573 0.72 SIGMAR1 (0.33) SIGMAR1CYP19A1
SCHEMBL5490043 0.72 SIGMAR1 (0.33) SIGMAR1CYP19A1
SCHEMBL8832922 0.72 SNCA (0.38) SIGMAR1CYP19A1

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