SCHEMBL8069455

SCHEMBL8069455

CC(COc1ccc(C(C)(C)c2ccc(OCC(C)OCC(C)Oc3ccc(N)cc3)cc2)cc1)OCC(C)Oc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.42
HTT P42858 2/20 0.42
AR P10275 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 3/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 2/20 0.36
MAOB P27338 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34

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
SCHEMBL8069451 1.00 HIF1A (0.42) HIF1AHTTARTDP1SMN1; SMN2
SCHEMBL8079027 1.00 HIF1A (0.42) HIF1AHTTARTDP1SMN1; SMN2
SCHEMBL8077130 0.94 HIF1A (0.46) HIF1AHTTARTDP1SMN1; SMN2
SCHEMBL10870781 0.83 TDP1 (0.53) TDP1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL8652151 0.82 TDP1 (0.41) TDP1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL18287427 0.81 HIF1A (0.47) HIF1AHTTARTDP1SMN1; SMN2
SCHEMBL10629565 0.80 AR (0.44) HIF1AHTTARTDP1SMN1; SMN2
SCHEMBL10627656 0.78 AR (0.46) HIF1AHTTARTDP1SMN1; SMN2
SCHEMBL12082206 0.78 HIF1A (0.54) HIF1AHTTARTDP1SMN1; SMN2
SCHEMBL2629379 0.77 HIF1A (0.49) HIF1AHTTARTDP1SMN1; SMN2

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-6137008-A USEFUL AS STARTING MATERIAL FOR MAKING FLEXIBLE AROMATIC POLYAMIDES OR POLYIMIDES NATIONAL SCIENCE COUNCIL (TW) 2000-10-24 US disclosed