SCHEMBL14487145

SCHEMBL14487145

CCC(C)C(C)(c1ccc([N+](=O)[O-])cc1)C(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ACHE P22303 1/20 0.42
HSD11B1 P28845 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
RECQL P46063 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPK1 P28482 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL29338018 0.74 HSD17B10 (0.48) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL6279071 0.74 ALDH1A1 (0.54) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL19286703 0.74 ALDH1A1 (0.54) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL4787853 0.74 ALDH1A1 (0.54) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL6223902 0.74 ALDH1A1 (0.54) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL677959 0.73 HSD17B10 (0.56) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL397351 0.73 HSD17B10 (0.56) ALDH1A1MAPTKDM4EHSD17B10ACHE
SCHEMBL1538287 0.73 HSD17B10 (0.56) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL6671840 0.73 HSD17B10 (0.56) ALDH1A1POLBMAPTKDM4EHSD17B10
SCHEMBL17108480 0.73 ALDH1A1 (0.53) ALDH1A1POLBMAPTKDM4EHSD17B10

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-7229668-B2 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-12 US disclosed