SCHEMBL4783920

SCHEMBL4783920

CC(=O)O[C@@H]1CCCCCCCCS1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
TSHR P16473 1/20 0.33
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
NAAA Q02083 2/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4783925 1.00 EPHX1 (0.35) EPHX1TSHRCHRM2CHRM1CHRM4
SCHEMBL28746198 1.00 EPHX1 (0.35) EPHX1TSHRCHRM2CHRM1CHRM4
SCHEMBL6917809 0.92
SCHEMBL8461226 0.81 EPHX1 (0.32) EPHX1
SCHEMBL2716667 0.79 ALDH1A1 (0.34)
SCHEMBL9354217 0.79 EPHX1 (0.31) EPHX1
SCHEMBL9358724 0.78 EPHX1 (0.31) EPHX1
SCHEMBL1061015 0.74 KMT2A (0.33) KMT2A
SCHEMBL23506964 0.73 EPHX1 (0.52) EPHX1CHRM2CHRM1CHRM4CHRM3
SCHEMBL200090 0.73 EPHX1 (0.52) EPHX1CHRM2CHRM1CHRM4CHRM3

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-2008063119-A1 GALL MIDGE PHEROMONE MIXTURE FORSKARPATENT I SYD AB (SE) 2008-05-29 WO disclosed