SCHEMBL6478425

SCHEMBL6478425

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
BCHE P06276 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX1 P07099 1/20 0.30

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 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AEPHX1
SCHEMBL6533465 0.79 TMEM97 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL6531544 0.73 TMEM97 (0.43)
SCHEMBL6531126 0.73 TMEM97 (0.50) ALDH1A1
SCHEMBL6479225 0.72 PRMT5 (0.41) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL7764841 0.71 EPHX1 (0.52) CYP2C9CYP2C19HIF1AMEN1KMT2A
SCHEMBL6533444 0.70 TMEM97 (0.55) ALDH1A1
SCHEMBL30771271 0.70 EPHX1 (0.50) CYP2C9CYP2C19HIF1AALDH1A1MEN1
SCHEMBL3258681 0.68 CPA1 (0.36) MEN1KMT2A
SCHEMBL7509023 0.68 CYP2C9 (0.40) CYP2C9CYP2C19HIF1ABCHECPN1

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