SCHEMBL11650962

SCHEMBL11650962

O=C1CCC2C(CCC3C(=O)CCC32)C1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.41

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
SCHEMBL18381234 0.96 SHBG (0.46) SHBG
SCHEMBL22088568 0.86 SHBG (0.37) SHBG
SCHEMBL11787039 0.85 SHBG (0.49) SHBG
SCHEMBL8475737 0.77 SHBG (0.31) SHBG
SCHEMBL15963496 0.77 SHBG (0.51) SHBG
SCHEMBL15903885 0.77 SHBG (0.51) SHBG
SCHEMBL9806329 0.75 SHBG (0.43) SHBG
SCHEMBL11224788 0.75 SHBG (0.43) SHBG
SCHEMBL9806327 0.75 SHBG (0.43) SHBG
SCHEMBL9806286 0.75 SHBG (0.43) SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4105676-A 2-ALKOXY ETHYL-6-/3-CYANOPROPYL/TETRAHYDROPYRAN-2-OL HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4044004-A Total steroid synthesis employing substituted isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-3994930-A MULTISTEP, STEREOSPECIFIC TOTAL SYNTHESIS OF STEROIDS HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US disclosed
US-3972896-A Aryl ketals of polycyclic oxo compounds and processes HOFFMANN-LA ROCHE INC. (US) 1976-08-03 US disclosed
US-3965138-A Steroid total synthesis process utilizing a cyanoalkyl A-ring precursor HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US disclosed
US-3960896-A Aryl ketals of polycyclic oxo compounds and processes HOFFMANN-LA ROCHE INC. (US) 1976-06-01 US disclosed
US-3950358-A ARYL KETALS OF 3,7-DIHYDROXY-11-OXO-DODEC-1-ENE HOFFMANN-LA ROCHE INC. (US) 1976-04-13 US disclosed
US-3948951-A Aryl ketals of 1-chloro-4-oxo-pentane HOFFMANN-LA ROCHE INC. (US) 1976-04-06 US disclosed