SCHEMBL6479225

SCHEMBL6479225

O=C(NCC(C(=O)O)C1CCCCC1)c1ccccc1CO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TMEM97 Q5BJF2 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGLN2 Q96KS0 2/20 0.36
EGLN1 Q9GZT9 2/20 0.36
SGMS2 Q8NHU3 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6531412 0.86 ALDH1A1 (0.35) MEN1KMT2AKDM4EALDH1A1TMEM97
SCHEMBL6531126 0.81 TMEM97 (0.50) ALDH1A1TMEM97MAPTLMNAHTT
SCHEMBL6533444 0.80 TMEM97 (0.55) ALDH1A1TMEM97LMNARAB9A
SCHEMBL6531544 0.74 TMEM97 (0.43) TMEM97
SCHEMBL6478425 0.72 CYP2C9 (0.33) MEN1KMT2AALDH1A1CYP2C19
SCHEMBL13016806 0.72 EGLN2 (0.42) PRMT5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3111586 0.72 EGLN2 (0.42) PRMT5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3117385 0.72 LMNA (0.44) MEN1KMT2AALDH1A1EGLN2EGLN1
SCHEMBL6533465 0.71 TMEM97 (0.45) MEN1KMT2AALDH1A1TMEM97LMNA
SCHEMBL2960866 0.70 TP53 (0.50) MEN1KMT2AKDM4EALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572627-A1 DRUGS FOR CHRONIC PAIN Nicox S.A. (FR) 2005-09-14 EP disclosed
WO-2004054965-A1 DRUGS FOR CHRONIC PAIN NICOX S.A. (FR) 2004-07-01 WO disclosed