SCHEMBL18901635

SCHEMBL18901635

CC1(COC(=O)C2CC3CCC2C3)CC2CC(C1)C1CC(C)(COC(=O)C3CC4CCC3C4)CCC21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CYP19A1 P11511 1/20 0.33
HSD11B1 P28845 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
SCHEMBL18901703 0.79 CYP19A1 (0.46) CYP19A1
SCHEMBL18901461 0.79 ALDH1A1 (0.37) POLBCYP19A1
SCHEMBL19873051 0.78 CYP19A1 (0.30) CYP19A1
SCHEMBL23651881 0.75 CYP19A1 (0.44) CYP19A1
SCHEMBL20959943 0.75 CYP19A1 (0.33) CYP19A1
SCHEMBL20959942 0.69 CYP19A1 (0.30) CYP19A1
SCHEMBL23097087 0.68
SCHEMBL31178057 0.68 POLB (0.49) POLBHSD11B1
SCHEMBL1862636 0.68 POLB (0.49) POLBHSD11B1
Hydrochloric Acid SCHEMBL4279690 0.67 POLB (0.47) POLBHSD11B1

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-2094760-B1 COMPOSITIONS CURABLE BY RING OPENING METATHESIS POLYMERIZATION AT LOW TEMPERATURES AND THEIR APPLICATION IN THE DENTAL FIELD 3M INNOVATIVE PROPERTIES CO (US) 2017-05-31 EP disclosed