SCHEMBL13625665

SCHEMBL13625665

O=C1CCN1CCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.39
NAAA Q02083 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL6932994 0.91 ALDH1A1 (0.46) ACHEKDM4EALDH1A1GAATSHR
SCHEMBL8150036 0.84 ACHE (0.36) ACHECYP1A2NAAAKDM4EALDH1A1
SCHEMBL7286766 0.75 NAAA (0.56) CYP1A2NAAAKDM4ESIGMAR1
SCHEMBL8396951 0.75 NAAA (0.37) CYP1A2NAAASIGMAR1
SCHEMBL8395467 0.75 NAAA (0.37) CYP1A2NAAASIGMAR1
SCHEMBL8392445 0.73 NAAA (0.36) CYP1A2NAAASIGMAR1
SCHEMBL8395374 0.73 NAAA (0.36) CYP1A2NAAASIGMAR1
SCHEMBL8396468 0.72 NAAA (0.35) CYP1A2NAAASIGMAR1
SCHEMBL10153613 0.71 USP19 (0.41) ACHEKDM4EALDH1A1GAATSHR
SCHEMBL8396156 0.71 NAAA (0.34) CYP1A2NAAASIGMAR1

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-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed