SCHEMBL7947809

SCHEMBL7947809

CC(=O)Oc1ccc(C)c(OC(C)=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
PTPN1 P18031 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
ACHE P22303 2/20 0.47
ELANE P08246 1/20 0.46
MAPK1 P28482 1/20 0.44
GBA1 P04062 1/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CFD P00746 1/20 0.42
TOP1 P11387 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10546986 0.88 MAPK1 (0.52) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL6269458 0.88 PTPN1 (0.57) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL12723861 0.87 ACHE (0.57) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL7565582 0.86 PTPN1 (0.51) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL16450253 0.85 KDM4E (0.53) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL9328943 0.84 PTPN1 (0.62) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL10438118 0.83 POLB (0.51) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL16265058 0.83 KDM4E (0.59) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL8022610 0.82 HTT (0.49) POLBPTPN1HTTKDM4EALDH1A1
SCHEMBL7390252 0.80 ACHE (0.47) POLBPTPN1HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1159325-A Co-therapy for Parkinson's syndrome PFIZER (US) 1997-09-17 CN 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