SCHEMBL11537672

SCHEMBL11537672

CC(C)(CCl)C(=O)C(O)(Cl)C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.50
PDK2 Q15119 5/20 0.50
PDK3 Q15120 5/20 0.50
PDK4 Q16654 5/20 0.50
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MMP8 P22894 1/20 0.44
HSP90AA1 P07900 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11372755 0.86 HTT (0.50) PDK1PDK2PDK3PDK4HTT
SCHEMBL11853007 0.85 HTT (0.49) PDK1PDK2PDK3PDK4HTT
SCHEMBL383023 0.84 HTT (0.66) PDK1PDK2PDK3PDK4HTT
SCHEMBL9614330 0.75 HTT (0.58) PDK1PDK2PDK3PDK4HTT
SCHEMBL8570401 0.75 MAPT (0.61) PDK1PDK2PDK3PDK4HTT
SCHEMBL10989896 0.75 MAPT (0.61) PDK1PDK2PDK3PDK4HTT
SCHEMBL10431830 0.74 KMT2A (0.44) PDK1PDK2PDK3PDK4HTT
SCHEMBL11172475 0.73 MAPT (0.59) PDK1PDK2PDK3PDK4HTT
SCHEMBL11283348 0.73 MAPT (0.51) HTTLMNAMAPTALDH1A1HPGD
SCHEMBL3129785 0.73 PDK1 (0.67) PDK1PDK2PDK3PDK4HTT

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
US-4146396-A TWO EQUIVALENT COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1979-03-27 US disclosed