SCHEMBL935246

SCHEMBL935246

NC(=O)CCCc1cccc(SC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.45
AURKA O14965 2/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.39
NOS1 P29475 1/20 0.39
FAAH O00519 3/20 0.38
CES1 P23141 3/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12986139 0.83 LMNA (0.42) FFAR4AURKAMAPK1LMNAMAPT
SCHEMBL933965 0.81 PTPRZ1 (0.49) MAPK1LMNAHTTFAAHCES1
SCHEMBL31173722 0.79 PTPRZ1 (0.48) FFAR4AURKAMAPK1LMNAMAPT
SCHEMBL17288972 0.78 FFAR4 (0.40) FFAR4MAPK1LMNAMAPTTSHR
SCHEMBL4309679 0.77 TAAR1 (0.60) FFAR4AURKAEPHX1HDAC1HDAC8
SCHEMBL2646892 0.75 NR1H4 (0.51) FFAR4MAPK1LMNAMAPTTSHR
SCHEMBL2090292 0.74 TAAR1 (0.56) SLC6A3
SCHEMBL13064250 0.74 CETP (0.40) FFAR4UBE2MDCUN1D1SMN1; SMN2CETP
SCHEMBL17288832 0.74 FFAR4 (0.39) FFAR4MAPK1LMNAMAPTTSHR
SCHEMBL935243 0.74 EPHX1 (0.44) FFAR4MAPK1LMNAMAPTTSHR

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