SCHEMBL6533444

SCHEMBL6533444

O=C(NCC(C(=O)O)C1CCCCC1)c1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 11/20 0.55
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL6531126 0.88 TMEM97 (0.50) TMEM97LMNAALDH1A1
SCHEMBL6533465 0.86 TMEM97 (0.45) TMEM97LMNAALDH1A1
SCHEMBL6531544 0.84 TMEM97 (0.43) TMEM97
SCHEMBL6479225 0.80 PRMT5 (0.41) TMEM97LMNARAB9AALDH1A1
SCHEMBL2803707 0.74 TMEM97 (0.55) TMEM97POLBATMRAB9AALDH1A1
SCHEMBL13016805 0.73 TMEM97 (0.48) TMEM97LMNAATMRAB9AALDH1A1
SCHEMBL3122259 0.73 TMEM97 (0.48) TMEM97LMNAATMRAB9AALDH1A1
SCHEMBL3112716 0.73 TMEM97 (0.50) TMEM97LMNARAB9AALDH1A1
SCHEMBL220610 0.71 TMEM97 (0.57) TMEM97RAB9AMRGPRX4
SCHEMBL5520643 0.71 POLB (0.57) POLBLMNAATMRAB9AALDH1A1

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 4 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 claimed
WO-2004054965-A1 DRUGS FOR CHRONIC PAIN NICOX S.A. (FR) 2004-07-01 WO claimed
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