SCHEMBL6529151

SCHEMBL6529151

CCCCCCCCON1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
LTA4H P09960 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 6/20 0.33
LPAR3 Q9UBY5 3/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
LPAR1 Q92633 2/20 0.33
PRKCA P17252 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL15214681 0.92 TDP1 (0.37) ALOX5LTA4HMEN1KMT2A
SCHEMBL4175721 0.82 THRB (0.40) LTA4HCA1CA2CA9LPAR3
SCHEMBL8972630 0.82 THRB (0.40) LTA4HCA1CA2CA9LPAR3
SCHEMBL10378875 0.82 THRB (0.40) LTA4HCA1CA2CA9LPAR3
SCHEMBL14759523 0.78 LTA4H (0.44) LTA4HCA1CA2CA9LPAR3
SCHEMBL9275922 0.78 LTA4H (0.44) LTA4HCA1CA2CA9LPAR3
SCHEMBL248989 0.76
SCHEMBL8432395 0.76 LTA4H (0.42) LTA4HCA1CA2CA9CA12
SCHEMBL7828731 0.76 LTA4H (0.38) ALOX5LTA4HCA1CA2CA9
SCHEMBL528149 0.74 LTA4H (0.41) LTA4HMEN1KMT2A

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-2005090307-A1 A PROCESS FOR THE SYNTHESIS OF AMINE ETHERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-09-29 WO disclosed