SCHEMBL14529697

SCHEMBL14529697

C=CCO[C@@H]1CCN(C2CCOC2)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL14528916 0.91 ADRA1A (0.32)
SCHEMBL14528912 0.91 ADRA1A (0.32)
SCHEMBL14528540 0.86 ADRA1A (0.32)
SCHEMBL14528877 0.76 LMNA (0.35)
SCHEMBL9868089 0.73
SCHEMBL14529677 0.72 NAAA (0.44) ALDH1A1
SCHEMBL14529831 0.70 CARM1 (0.45)
SCHEMBL14529830 0.70 CHRM2 (0.37) ALDH1A1KDM2B
SCHEMBL14528879 0.70 HRH3 (0.36) ALDH1A1KDM2B
SCHEMBL17888613 0.69 EPHX2 (0.36) ALDH1A1

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-2007053499-A2 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed