SCHEMBL8081822

SCHEMBL8081822

CC(COc1ccc(C(C)(C)c2ccc(OCC(C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 1/20 0.43
HIF1A Q16665 1/20 0.41
HTR2A P28223 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10452742 0.90 GAA (0.55) MAPTGAAALDH1A1HTTMEN1
SCHEMBL8078834 0.81 MAPT (0.56) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL8077130 0.79 HIF1A (0.46) MAPTGAAALDH1A1HTTMEN1
SCHEMBL11463349 0.78 GAA (0.55) MAPTGAAALDH1A1PTGS2CYP3A4
SCHEMBL23647529 0.77 IDO1 (0.49) MAPTGAAALDH1A1HTTMEN1
SCHEMBL9497275 0.76 HSPB1 (0.59) MAPTGAAALDH1A1HTTMEN1
SCHEMBL10643494 0.76 GAA (0.58) MAPTGAAALDH1A1PTGS2LMNA
SCHEMBL9082994 0.76 HSPB1 (0.59) MAPTGAAALDH1A1HTTMEN1
SCHEMBL3045885 0.76 MAPT (0.68) MAPTGAAALDH1A1MEN1NPC1
SCHEMBL6671840 0.75 HSD17B10 (0.56) MAPTALDH1A1LMNA

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