SCHEMBL16230474

SCHEMBL16230474

C/C(C(=O)O)=C1\CCCCC1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
MCL1 Q07820 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
SCHEMBL10683142 0.76 UGT2B17 (0.31) CA1CA2CA4
SCHEMBL10591237 0.76 KDM4E (0.33) KDM4EPOLBL3MBTL1GAA
SCHEMBL16230473 0.73 TLR4 (0.37)
SCHEMBL1357983 0.66 GRIK1 (0.38)
SCHEMBL15414619 0.66 KDM4E (0.39) KDM4EPOLBL3MBTL1GAAHSD17B10
SCHEMBL9432289 0.64 GRIK1 (0.39)
SCHEMBL9246598 0.64 KDM4E (0.31) KDM4EPOLBL3MBTL1GAAHSD17B10
SCHEMBL1655387 0.61
SCHEMBL4659117 0.61
SCHEMBL5063975 0.61

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
EP-1538215-B1 PROCESSES FOR PRODUCING LACTONE TAKASAGO PERFUMERY CO LTD (JP) 2014-11-12 EP disclosed