SCHEMBL9699170

SCHEMBL9699170

C=CCOC(=O)N1C[C@H](CC(C)=O)C[C@H]1C(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL9697765 1.00 CYP19A1 (0.32) CYP19A1SIGMAR1
SCHEMBL9697875 0.86 ATM (0.35) CYP19A1SIGMAR1
SCHEMBL9697753 0.86 ATM (0.35) CYP19A1SIGMAR1
SCHEMBL9381282 0.82 SIGMAR1 (0.34) CYP19A1SIGMAR1
SCHEMBL6772112 0.82 POLB (0.36) CYP19A1SIGMAR1
SCHEMBL8865106 0.81 CYP19A1 (0.33) CYP19A1SIGMAR1
SCHEMBL8011538 0.81 CYP19A1 (0.33) CYP19A1SIGMAR1
SCHEMBL9020427 0.80
SCHEMBL9020433 0.80
SCHEMBL9754760 0.80

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
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed