SCHEMBL364063

SCHEMBL364063

NCCCC[C@H](NN1CCCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 13/20 0.50
FOLH1 Q04609 1/20 0.46
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
GSR P00390 1/20 0.42
ACE P12821 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL364062 1.00 CPB2 (0.50) CPB2FOLH1MMP2MMP9GSR
SCHEMBL10709796 0.79 FOLH1 (0.42) CPB2FOLH1MMP2MMP9GSR
SCHEMBL10709791 0.79 FOLH1 (0.42) CPB2FOLH1MMP2MMP9GSR
SCHEMBL16990211 0.78 C3AR1 (0.34) CPB2FOLH1ITGB3ITGA2B
SCHEMBL30332077 0.76 FOLH1 (0.45) CPB2FOLH1MMP2MMP9GSR
SCHEMBL11143392 0.76 FOLH1 (0.50) FOLH1MMP9
SCHEMBL30645305 0.75 ITGB2 (0.39)
SCHEMBL28432618 0.74 MME (0.41) ACE
SCHEMBL3382334 0.73 FOLH1 (0.56) CPB2FOLH1MMP2MMP9GSR
SCHEMBL3382330 0.73 FOLH1 (0.56) CPB2FOLH1MMP2MMP9GSR

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-2012007531-A2 METHODS AND COMPOSITIONS FOR DIAGNOSING MEDICAL CONDITIONS MADEO FRANK (AT) 2012-01-19 WO disclosed