SCHEMBL6812864

SCHEMBL6812864

CCC(=O)c1ccc(OCc2ccccc2)c(CBr)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
MAPT P10636 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
EGFR P00533 1/20 0.49
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGER1 P34995 1/20 0.45

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
SCHEMBL10735687 0.88 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL27552163 0.87 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL10826050 0.85 SMN1; SMN2 (0.86) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL6808423 0.84 SMN1; SMN2 (0.76) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL6811499 0.82 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL6812174 0.82 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL28007335 0.82 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL8843713 0.81 SMN1; SMN2 (0.90) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL6811211 0.81 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL27396917 0.81 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1HPGDMAPT

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