SCHEMBL257581

SCHEMBL257581

Cc1ccc(C(=O)CCc2ccccc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.45
SLC5A1 P13866 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
SCHEMBL10269841 0.85 NPC1 (0.48) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL12330284 0.82 RAB9A (0.52) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL12260596 0.82 PDE4A (0.53) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL15001727 0.80 KMT2A (0.61) RAB9ANPC1TDP1ALDH1A1SMN1; SMN2
SCHEMBL12031170 0.79 PDE4A (0.54) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL5461438 0.79 MAPT (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL20023067 0.79 MRGPRX4 (0.44) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL28012695 0.77 NPC1 (0.65) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL12330301 0.77 NPC1 (0.70) RAB9ANPC1TDP1ALDH1A1CASP3
SCHEMBL23367937 0.76 RAB9A (0.61) RAB9ANPC1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed