SCHEMBL11299412

SCHEMBL11299412

COC(OC)[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CES2 O00748 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
SCHEMBL13637440 1.00 SMN1; SMN2 (0.35) SMN1; SMN2THRBALOX15CES2
SCHEMBL11300063 1.00 SMN1; SMN2 (0.35) SMN1; SMN2THRBALOX15CES2
SCHEMBL16976913 0.83 THRB (0.40) SMN1; SMN2THRBALOX15
SCHEMBL13627274 0.83 THRB (0.40) SMN1; SMN2THRBALOX15
SCHEMBL12087571 0.83 THRB (0.40) SMN1; SMN2THRBALOX15
SCHEMBL13627273 0.77 RAB9A (0.37) SMN1; SMN2THRBALOX15
SCHEMBL16976910 0.77 RAB9A (0.37) SMN1; SMN2THRBALOX15
SCHEMBL12087568 0.77 RAB9A (0.37) SMN1; SMN2THRBALOX15
SCHEMBL10305200 0.75 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL10549138 0.74 SMN1; SMN2 (0.32) SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256911-A TRIFLUOROMETHYL-CARBOXY ESTERS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
US-4237276-A CARDIOVASCULAR AGENTS, INDUCTION OF LABOR, TERMINATION OF PREGNANCY HOFFMANN-LA ROCHE INC. (US) 1980-12-02 US disclosed
US-4211724-A ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM HOFFMAN-LA ROCHE INC. (US) 1980-07-08 US disclosed
US-4190587-A PROSTAGLANDINS HOFFMANN-LA ROCHE INC. (US) 1980-02-26 US disclosed
US-4187381-A CARDIOVASCULAR AGENTS; OXYTOCICS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4112225-A 16-CF3 prostaglandins HOFFMAN-LA ROCHE INC. (US) 1978-09-05 US disclosed