SCHEMBL3463449

SCHEMBL3463449

C=CC(NCCCCC)OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
EPHX1 P07099 9/20 0.37
DPP7 Q9UHL4 2/20 0.37
RRM1 P23921 1/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
TSHR P16473 2/20 0.33
S1PR5 Q9H228 1/20 0.33
CASP2 P42575 1/20 0.33
HPGD P15428 1/20 0.33
FAAH O00519 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
SCHEMBL8815454 0.87 ZDHHC20 (0.46) ZDHHC20ZDHHC2EPHX1DPP7TSHR
SCHEMBL11090017 0.81 EPHX1 (0.41) EPHX1DPP7RRM1TSHRCASP2
SCHEMBL3737147 0.75 TSHR (0.41) ZDHHC20ZDHHC2EPHX1TSHRHPGD
SCHEMBL2490188 0.75 ZDHHC20 (0.40) ZDHHC20ZDHHC2EPHX1
SCHEMBL3332206 0.71 ABCB1 (0.40) ZDHHC20ZDHHC2TSHRHPGDFAAH
SCHEMBL28160040 0.70 ZDHHC20 (0.46) ZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL278531 0.70 TSHR (0.37) TSHRHPGD
SCHEMBL24846447 0.69 EPHX1 (0.45) ZDHHC20ZDHHC2EPHX1DPP7RRM1
SCHEMBL4354667 0.69 ZDHHC20 (0.42) ZDHHC20ZDHHC2EPHX1DPP7TSHR
SCHEMBL299757 0.69 ZDHHC20 (0.42) ZDHHC20ZDHHC2EPHX1TSHR

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-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed