SCHEMBL183440

SCHEMBL183440

CCOC(=O)CC1CCCCN1c1ccc(C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.48
PPARG P37231 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL5646973 0.86 FFAR1 (0.53) FFAR1PPARGGABRA1GABRG2GABRB3
SCHEMBL12707808 0.82 FFAR1 (0.57) FFAR1PPARGGABRA1GABRG2GABRB3
SCHEMBL1584822 0.80 FFAR1 (0.77) FFAR1PPARGGABRA1GABRG2GABRB3
SCHEMBL21135465 0.78 HPGD (0.49) FFAR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1585108 0.77 FFAR1 (0.58) FFAR1PPARGMEN1RAB9AKMT2A
SCHEMBL180951 0.76 GPR119 (0.48) ALDH1A1SMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL1584862 0.74 FFAR1 (0.58) FFAR1PPARG
SCHEMBL18787387 0.73 HPGD (0.50) FFAR1ALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL1584574 0.73 FFAR1 (0.52) FFAR1PPARGGABRA1GABRG2GABRB3
SCHEMBL29873861 0.73 FFAR1 (0.55) FFAR1PPARG

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-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed