SCHEMBL6808409

SCHEMBL6808409

CCC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 3/20 0.35

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 0.83 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6808333 0.82 MAPT (0.45) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5461263 0.81 GSK3B (0.37) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5460465 0.76 GSK3B (0.44)
SCHEMBL2099154 0.74 ABCB1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2850545 0.73 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6812864 0.73 SMN1; SMN2 (0.68) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL28081308 0.72 HPGD (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6811142 0.72 THRA (0.49) HPGDSMN1; SMN2L3MBTL1
SCHEMBL16545008 0.72 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD

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 4 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