SCHEMBL14535134

SCHEMBL14535134

C[C@]12C[C@H](O)C3C4CCC5(CC4=CCC3C1CCC2(O)O)OCCO5

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SHBG P04278 3/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ AR P10275 2/20 0.31
▸ ESR2 Q92731 2/20 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
SCHEMBL8407329 0.89 POLB (0.35) POLBMAPTESR1ARESR2
SCHEMBL9757494 0.85 SHBG (0.34) SHBGESR1ARESR2
SCHEMBL23768743 0.78 ESR1 (0.32) POLBMAPTSHBGESR1AR
SCHEMBL20851724 0.77 SHBG (0.41) POLBSHBGESR1ARESR2
SCHEMBL7938353 0.76 POLB (0.34) POLBMAPT
SCHEMBL9273347 0.76 POLB (0.34) POLBMAPT
SCHEMBL7949847 0.75 POLB (0.34) POLBMAPTESR1ARESR2
SCHEMBL5891966 0.75 PGR (0.36) POLBMAPTAR
SCHEMBL8410110 0.75 PGR (0.36) POLBMAPTAR
SCHEMBL7944854 0.75 POLB (0.33) POLBMAPT

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-1226155-B1 18-NOR-STEROIDS AS SELECTIVELY ACTIVE ESTROGENS BAYER SCHERING PHARMA AG (DE) 2007-05-02 — — EP disclosed
Send feedback