SCHEMBL14429810

SCHEMBL14429810

CNC1CCCCC1CC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 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
SCHEMBL13895147 0.81 EPHX2 (0.38) ALDH1A1
SCHEMBL24306422 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7895027 0.80 EPHX1 (0.36) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL10145351 0.80 SLC6A12 (0.39) USP2
SCHEMBL26897449 0.79 SMN1; SMN2 (0.33) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL13895126 0.77 HCRTR1 (0.34) ALDH1A1
SCHEMBL24260255 0.76 HCRTR1 (0.32)
SCHEMBL24260409 0.74 KDM1A (0.36)
SCHEMBL17336290 0.74 PABPC1 (0.38) S1PR1S1PR3
SCHEMBL12797461 0.74 PABPC1 (0.38) S1PR1S1PR3

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
US-9061069-B2 Use of constrained peptide mimic oligomers as vectorization agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-23 US disclosed
EP-1816136-A1 GPR7-SELECTIVE LIGAND AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 EP disclosed