SCHEMBL6811142

SCHEMBL6811142

CCCC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PDE4D Q08499 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
TAS1R3 Q7RTX0 5/20 0.41
TAS1R1 Q7RTX1 5/20 0.41
HSD17B3 P37058 1/20 0.41
HPGD P15428 2/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6812398 0.89 MEN1 (0.43) THRATHRBTAS1R3TAS1R1HPGD
SCHEMBL5460465 0.84 GSK3B (0.44) THRATHRBTAS1R3TAS1R1CTNNB1
SCHEMBL5461932 0.81 ALDH1A1 (0.41) TAS1R3TAS1R1SMN1; SMN2
SCHEMBL6339402 0.79 CTNNB1 (0.58) THRATHRBPDE4DPDE4APDE4B
SCHEMBL6808442 0.78 TAS1R3 (0.41) THRATHRBTAS1R3TAS1R1
SCHEMBL6812401 0.78 STS (0.53) THRATHRBPDE4BHSD17B3HPGD
SCHEMBL5595633 0.77 ALDH1A1 (0.40) THRATHRBTAS1R3TAS1R1
SCHEMBL6811920 0.74 THRA (0.44) THRATHRBPDE4DPDE4APDE4B
SCHEMBL6811429 0.74 THRA (0.44) THRATHRBPDE4DTAS1R3TAS1R1
SCHEMBL5565698 0.73 HSD17B3 (0.57) THRATHRBTAS1R3TAS1R1HSD17B3

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
EP-0828513-B1 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER (US) 2004-01-21 EP disclosed
EP-0777652-B1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER (US) 2003-06-25 EP disclosed
US-6258827-B1 HYDROXYAROMATIC HETEROCYCLIC ALKANOLS AND LEVODOPA PFIZER INC. 2001-07-10 US disclosed
US-6046213-A Neuroprotective 3-(piperidinyl-1)-chroman-4,7-diol and 1-(4-hydroxyphenyl)-2-(piperidinyl-1)-alkanol derivatives PFIZER INC. (US) 2000-04-04 US disclosed
EP-0828513-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1998-03-18 EP disclosed
EP-0777652-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996037226-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1996-11-28 WO disclosed
WO-1996006081-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1996-02-29 WO disclosed