SCHEMBL1119923

SCHEMBL1119923

CCC(C)C1=CCCCN1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 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
SCHEMBL13064875 0.94 ALDH1A1 (0.36) ALDH1A1CHRNB2CHRNA4KDM4EL3MBTL1
SCHEMBL863190 0.79 INMT (0.30)
SCHEMBL1110106 0.74
SCHEMBL28293255 0.71 LMNA (0.30)
SCHEMBL7825892 0.67
SCHEMBL12182626 0.66
SCHEMBL7831654 0.63
SCHEMBL7837916 0.63 INMT (0.33)
SCHEMBL20156968 0.63
SCHEMBL30431874 0.63

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
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed