SCHEMBL8647900

SCHEMBL8647900

C=CCC1C(=O)C=C(OCC)CC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.55
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8648259 0.76 PGR (0.51) PGR
SCHEMBL15480917 0.74 PGR (0.35) PGRL3MBTL1
SCHEMBL3207834 0.72 NPC1 (0.41) PGR
SCHEMBL10406386 0.70 NPC1 (0.36) PGR
SCHEMBL16268679 0.68 PGR (0.41) PGR
SCHEMBL16268678 0.68 PGR (0.41) PGR
SCHEMBL11216845 0.65
SCHEMBL1128004 0.64 ALDH1A1 (0.47) PGRGAATSHR
SCHEMBL10407149 0.64 NPC1 (0.45) PGR
SCHEMBL5380269 0.63 ALDH1A1 (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808139-A CONTROLLING COMPLEXING WITH CYMOPOLY COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-09-15 US disclosed
WO-1994024080-A1 PROGESTERONE RECEPTOR AGONIST AND ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 1994-10-27 WO disclosed