SCHEMBL8077130

SCHEMBL8077130

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.46
HTT P42858 2/20 0.46
AR P10275 2/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 2/20 0.40
MAOB P27338 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37

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 0.94 HIF1A (0.42) HIF1AHTTARTDP1MAPT
SCHEMBL8069455 0.94 HIF1A (0.42) HIF1AHTTARTDP1MAPT
SCHEMBL8079027 0.94 HIF1A (0.42) HIF1AHTTARTDP1MAPT
SCHEMBL10870781 0.88 TDP1 (0.53) TDP1MAPTALDH1A1NPC1RAB9A
SCHEMBL2629379 0.82 HIF1A (0.49) HIF1AHTTARTDP1MAPT
SCHEMBL8762101 0.80 ALDH1A1 (0.50) HIF1AHTTARTDP1MAPT
SCHEMBL8081822 0.79 MAPT (0.48) HIF1AHTTARMAPTALDH1A1
SCHEMBL12951688 0.78 HIF1A (0.51) HIF1AHTTARTDP1MAPT
SCHEMBL8079022 0.78 SMN1; SMN2 (0.59) HIF1AHTTTDP1MAPTALDH1A1
SCHEMBL8674969 0.76 TSHR (0.48) HTTMAPTNPC1RAB9ASMN1; 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