SCHEMBL8648259

SCHEMBL8648259

CCOC1=CC(=O)C(C)C(C)(C)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.51
ACHE P22303 1/20 0.34
PTPRC P08575 1/20 0.30
CDC25B P30305 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL8647900 0.76 PGR (0.55) PGR
SCHEMBL16268679 0.70 PGR (0.41) PGR
SCHEMBL16268678 0.70 PGR (0.41) PGR
SCHEMBL19599271 0.70 NR3C1 (0.33) PGR
SCHEMBL1128004 0.69 ALDH1A1 (0.47) PGRKDM4EALDH1A1MAPTNPC1
SCHEMBL4773759 0.68 NPC1 (0.37) PGRACHEHTTNPC1CASP3
SCHEMBL7147326 0.67 PGR (0.35) PGRACHEKDM4EALDH1A1NPC1
SCHEMBL28957609 0.67 PGR (0.37) PGRKDM4EALDH1A1MAPTHTT
SCHEMBL13039618 0.66 NPC1 (0.41) PGRACHEHTTNPC1CASP3
SCHEMBL28957621 0.66 PGR (0.39) PGRKDM4EMAPT

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 5 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
EP-0637296-A4 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS. LIGAND PHARM INC (US) 1996-02-07 EP disclosed
EP-0637296-A1 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
WO-1994024080-A1 PROGESTERONE RECEPTOR AGONIST AND ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 1994-10-27 WO disclosed
WO-1993021145-A1 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. (US) 1993-10-28 WO disclosed