SCHEMBL1959564

SCHEMBL1959564

COC(=O)c1ccc(F)cc1O.COC(=O)c1ccc(F)cc1OCc1ccc(OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.66
MAOB P27338 3/20 0.55
MAOA P21397 2/20 0.55
RAB9A P51151 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 2/20 0.51
FFAR1 O14842 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47

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
SCHEMBL2477376 0.94 FFAR4 (0.73) FFAR4MAOBMAOARAB9AKMT2A
SCHEMBL1741575 0.89 FFAR4 (0.67) FFAR4MAOBMAOARAB9AKMT2A
SCHEMBL7900785 0.85 MAOB (0.75) FFAR4MAOBMAOARAB9AKMT2A
SCHEMBL4212043 0.85 MAOB (0.58) MAOBMAOARAB9AKMT2ANPC1
SCHEMBL1958139 0.82 FFAR4 (0.75) FFAR4NPC1MAPTFFAR1HPGD
SCHEMBL28921334 0.81 MAOB (0.51) FFAR4MAOBMAOARAB9ANPC1
SCHEMBL22160289 0.80 KMT2A (0.58) FFAR4RAB9AKMT2ANPC1MAPT
SCHEMBL12283379 0.80 FFAR4 (0.54) FFAR4MAOBRAB9ANPC1MAPT
SCHEMBL109588 0.79 CA12 (0.67) FFAR4RAB9AKMT2ANPC1MAPT
SCHEMBL29032389 0.78 SMPD1 (0.53) FFAR4RAB9AKMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed