SCHEMBL934360

SCHEMBL934360

Cc1ccccc1-c1ccc(CCCC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 3/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
RARB P10826 1/20 0.44
HDAC2 Q92769 3/20 0.43
HDAC1 Q13547 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL7109610 0.82 RARB (0.48) MMEFFAR1FFAR4PPARGPPARA
SCHEMBL29411612 0.81 ALDH1A1 (0.62) MMEFFAR1PPARGPPARARARB
SCHEMBL1510067 0.81 FFAR1 (0.66) MMEFFAR1FFAR4
SCHEMBL934732 0.81 SLC13A5 (0.55) MMEFFAR1PPARGPPARAALDH1A1
SCHEMBL11262500 0.80 FFAR1 (0.63) FFAR1HDAC2HDAC1SMN1; SMN2HDAC3
SCHEMBL7350032 0.79 LTB4R2 (0.52) MMEMEN1ALDH1A1CYP3A4KMT2A
SCHEMBL4981917 0.78 TDP1 (0.52) MMECA12CA1CA2CA9
SCHEMBL12646475 0.77 FFAR1 (0.49) MMECA12CA9FFAR1FFAR4
SCHEMBL10900648 0.76 HTR7 (0.67) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL661277 0.76 PLAAT3 (0.51) FFAR1HDAC2HDAC1SMN1; SMN2HDAC3

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
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed