SCHEMBL4441024

SCHEMBL4441024

CCCCCCOC(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.50
HSD17B10 Q99714 2/20 0.48
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9773156 1.00 FKBP1A (0.50) FKBP1AHSD17B10TLR2TLR1SMN1; SMN2
SCHEMBL18676059 0.95 FKBP1A (0.52) FKBP1AHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL12215284 0.95 FKBP1A (0.52) FKBP1AHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL20609369 0.91 TLR2 (0.44) FKBP1AHSD17B10TLR2TLR1MEN1
SCHEMBL2760258 0.91 FKBP1A (0.55) FKBP1AHSD17B10
SCHEMBL18675971 0.89 FKBP1A (0.50) FKBP1AHSD17B10TLR2TLR1SMN1; SMN2
SCHEMBL18668954 0.89 FKBP1A (0.50) FKBP1AHSD17B10TLR2TLR1SMN1; SMN2
SCHEMBL25960272 0.87 FKBP1A (0.50) FKBP1AHSD17B10TLR2TLR1SMN1; SMN2
SCHEMBL26539682 0.87 TLR2 (0.42) FKBP1AHSD17B10TLR2TLR1SMN1; SMN2
SCHEMBL15911990 0.86 FKBP1A (0.49) FKBP1AHSD17B10TLR2TLR1SMN1; SMN2

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-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 WO disclosed