SCHEMBL6239905

SCHEMBL6239905

COc1cc(C(C)=O)ccc1OCc1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
ALDH1A1 P00352 5/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.47
ADRB2 P07550 1/20 0.47
TSHR P16473 1/20 0.47
PIK3CG P48736 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL14611120 0.89 TSHR (0.61) KMT2ALTB4RLTB4R2MEN1SMN1; SMN2
SCHEMBL8827451 0.86 KMT2A (0.54) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL7976117 0.86 LTB4R (0.69) KMT2ALTB4RLTB4R2MEN1SMN1; SMN2
SCHEMBL2088933 0.85 KMT2A (0.53) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL7987092 0.85 LTB4R (0.47) KMT2ALTB4RLTB4R2ALDH1A1GAA
SCHEMBL20463438 0.82 MAOB (0.66) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL12493963 0.80 ALDH1A1 (0.51) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL20463444 0.80 ALDH1A1 (0.62) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL31025721 0.79 NPC1 (0.75) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL340620 0.79 NPC1 (0.75) KMT2AMEN1SMN1; SMN2HPGDNPC1

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed