SCHEMBL12435438

SCHEMBL12435438

CC[C@]12CCC3C4CCC(O)=CC4=CCC3C1C=C[C@@H]2O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.36
▸ LMNA P02545 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ AR P10275 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ OPRM1 P35372 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
SCHEMBL11854747 0.81 SRD5A2 (0.41) SRD5A2ESR1AR
SCHEMBL11854755 0.81 SRD5A2 (0.41) SRD5A2ESR1AR
SCHEMBL12446650 0.76 SRD5A2 (0.39) SRD5A2LMNAESR1PGRAR
SCHEMBL11863792 0.73 SRD5A2 (0.40) SRD5A2LMNAESR1PGRAR
SCHEMBL11863797 0.73 SRD5A2 (0.40) SRD5A2LMNAESR1PGRAR
SCHEMBL11861828 0.70 SHBG (0.58) SRD5A2LMNAESR1PGRAR
SCHEMBL11861831 0.70 SHBG (0.58) SRD5A2LMNAESR1PGRAR
SCHEMBL11518021 0.69 ESR1 (0.58) SRD5A2LMNAESR1AR
SCHEMBL11864782 0.68 PGR (0.45) SRD5A2LMNAESR1PGRAR
SCHEMBL11864787 0.68 PGR (0.45) SRD5A2LMNAESR1PGRAR

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-2354150-A1 Process for the preparation of gestodene LABORATOIRE THERAMEX (MC) 2011-08-10 — — EP disclosed
Send feedback