SCHEMBL5534649

SCHEMBL5534649

CCC1=C(C)N(CC)C(C)=CC1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 4/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CACNA1F O60840 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 2/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
GMNN O75496 1/20 0.35
KCNK2 O95069 1/20 0.35
ABCB11 O95342 1/20 0.35
GSR P00390 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL3003408 0.82 MAPT (0.41) MAPTKMT2AACHE
SCHEMBL10929590 0.74 HTR2A (0.46) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL31299804 0.69 ALDH1A1 (0.49) CACNA1DKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL3142647 0.69 KDM4E (0.52) CACNA1DKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL7890630 0.67 MAPT (0.53) CACNA1DKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL12994290 0.67 LMNA (0.66) CACNA1DKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL10542632 0.66 CACNA1D (0.55) CACNA1DKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL9602040 0.65 CACNA1D (0.57) CACNA1DKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL10275885 0.63 KDM4E (0.42) CACNA1DKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL29437308 0.61 ALDH1A1 (0.67) HSD17B10ALDH1A1TDP1HPGDTSHR

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-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed