SCHEMBL7438490

SCHEMBL7438490

CCC(C(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
KCNQ2 O43526 1/20 0.42
APP P05067 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HPGD P15428 1/20 0.37
KLK7 P49862 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15268895 0.86 ROCK1 (0.41) APPADRB2ADRB1ADRB3CTSS
SCHEMBL2293652 0.83 MEN1 (0.55) MEN1LMNAKMT2AMAPTTDP1
SCHEMBL14445115 0.83 APP (0.42) KCNQ2APPADRB2ADRB1ADRB3
SCHEMBL14445113 0.82 HPGD (0.36) MEN1LMNAKMT2AAPPADRB2
SCHEMBL28322525 0.81 MAPT (0.42) MEN1LMNAKMT2AKCNQ2HPGD
SCHEMBL13687168 0.81 ESR1 (0.50) MEN1LMNAKMT2AKCNQ2HPGD
SCHEMBL28686134 0.79 APP (0.36) MEN1LMNAKMT2AAPPADRB2
SCHEMBL11090216 0.79 ALDH1A1 (0.47) MEN1LMNAKMT2AADRB2ADRB1
SCHEMBL23003724 0.79 KCNQ2 (0.47) LMNAKCNQ2TDP1
SCHEMBL9895911 0.78 KMT2A (0.48) MEN1LMNAKMT2AADRB2ADRB1

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
EP-0642338-B1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE MERRELL PHARMA INC (US) 1997-01-22 EP disclosed
EP-0720475-A1 TRANSDERMAL DEVICE CONTAINING (E)-2-(P-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS INC. (US) 1996-07-10 EP disclosed
WO-1995008325-A1 TRANSDERMAL DEVICE CONTAINING (E)-2-(P-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS INC. (US) 1995-03-30 WO disclosed
EP-0642338-A1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE. MERRELL DOW PHARMA (US) 1995-03-15 EP disclosed
WO-1993024120-A1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE MERRELL DOW PHARMACEUTICALS INC. (US) 1993-12-09 WO disclosed