SCHEMBL12281697

SCHEMBL12281697

CC(C)(OC(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ GPR174 Q9BXC1 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL13979759 0.75 NPSR1 (0.47) NPSR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL10186558 0.75 SMN1; SMN2 (0.51) NPSR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL16454949 0.74 ALDH1A1 (0.56) NPSR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4007090 0.73 ALDH1A1 (0.47) NPSR1ALDH1A1MAPTLMNAKDM4E
SCHEMBL30998112 0.73 MAPT (0.63) ALDH1A1MAPTLMNAKMT2AMAPK1
SCHEMBL4435451 0.73 MAPT (0.63) ALDH1A1MAPTLMNAKMT2AMAPK1
SCHEMBL29029637 0.72 ALDH1A1 (0.58) NPSR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL3155919 0.72 POLB (0.56) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14964493 0.72 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL5884408 0.71 ALDH1A1 (0.48) NPSR1ALDH1A1MAPTKMT2AMEN1

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-2011126076-A1 THIN-FILM TRANSISTOR SUBSTRATE 大日本印刷株式会社 (JP) 2011-10-13 — — WO disclosed
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