SCHEMBL15748414

SCHEMBL15748414

O=[N+]([O-])C1=CCC(OCC2CCCCCCC2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CYP19A1 P11511 2/20 0.33
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL17928465 0.72
SCHEMBL10049115 0.70
SCHEMBL13067935 0.67
SCHEMBL12902022 0.63
SCHEMBL8196595 0.63
SCHEMBL14865021 0.63
SCHEMBL15177736 0.63
SCHEMBL13888366 0.63
SCHEMBL16542291 0.61
SCHEMBL13983171 0.61

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-2014081300-A1 CHANNEL PROTEIN ACTIVATABLE LIPOSOMES TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 WO disclosed