SCHEMBL5302802

SCHEMBL5302802

CC(C)CCCCCCCCCCCCCc1[nH]cc[n+]1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35
MMP9 P14780 1/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5297154 1.00 HIF1A (0.35) HIF1AEPAS1MMP9MEN1ALDH1A1
SCHEMBL5301878 1.00 HIF1A (0.35) HIF1AEPAS1MMP9MEN1ALDH1A1
SCHEMBL5288828 1.00 HIF1A (0.35) HIF1AEPAS1MMP9MEN1ALDH1A1
SCHEMBL5287406 1.00 HIF1A (0.35) HIF1AEPAS1MMP9MEN1ALDH1A1
SCHEMBL5299837 1.00 HIF1A (0.35) HIF1AEPAS1MMP9MEN1ALDH1A1
SCHEMBL5283305 0.85 KCNH2 (0.40)
SCHEMBL5287987 0.79 MAPT (0.31) HTT
SCHEMBL5305215 0.78 MMP9 (0.39) HIF1AEPAS1MMP9MEN1ALDH1A1
SCHEMBL5288967 0.78 MMP9 (0.39) HIF1AEPAS1MMP9MEN1ALDH1A1
SCHEMBL5283126 0.75 HIF1A (0.36) HIF1AEPAS1

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