SCHEMBL5288967

SCHEMBL5288967

CC(C)CCCCCCCCCCCCCCCCc1[nH]cc[n+]1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
AOC3 Q16853 1/20 0.34
EEF2K O00418 2/20 0.33
EEF2 P13639 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
PLK4 O00444 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
BLM P54132 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL5305215 1.00 MMP9 (0.39) MMP9MEN1KMT2AALDH1A1HTT
SCHEMBL5291960 0.85 EEF2K (0.47) MEN1KMT2AALDH1A1OPRM1OPRD1
Hydrochloric Acid SCHEMBL10972897 0.84 LMNA (0.36) MMP9MEN1KMT2AALDH1A1HTT
SCHEMBL4061522 0.80 HIF1A (0.35) HIF1AEPAS1
SCHEMBL4146894 0.80 HIF1A (0.35) HIF1AEPAS1
SCHEMBL5292833 0.78 EEF2K (0.38) MEN1KMT2AALDH1A1HTTEEF2K
SCHEMBL5287406 0.78 HIF1A (0.35) MMP9MEN1KMT2AALDH1A1HTT
SCHEMBL5288828 0.78 HIF1A (0.35) MMP9MEN1KMT2AALDH1A1HTT
SCHEMBL5302802 0.78 HIF1A (0.35) MMP9MEN1KMT2AALDH1A1HTT
SCHEMBL5299837 0.78 HIF1A (0.35) MMP9MEN1KMT2AALDH1A1HTT

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed