SCHEMBL11528283

SCHEMBL11528283

C=CCN(S)C(=O)NCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
EPHX1 P07099 6/20 0.40
ACHE P22303 8/20 0.38
MMP2 P08253 2/20 0.38
FAAH O00519 1/20 0.38
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MMP1 P03956 1/20 0.35
CASP2 P42575 1/20 0.34

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
SCHEMBL28428750 0.82 ZDHHC20 (0.46) ZDHHC20ZDHHC2EPHX1ACHEMMP2
SCHEMBL11530181 0.81 EPHX1 (0.48) EPHX1ACHEMMP2TSHRHTT
SCHEMBL176404 0.80 ALDH1A1 (0.38)
SCHEMBL3272590 0.78 EPHX1 (0.45) EPHX1ACHEMMP2TSHRHTT
SCHEMBL11096312 0.77 ZDHHC20 (0.53) ZDHHC20ZDHHC2EPHX1FAAHCASP2
SCHEMBL11561683 0.76 ZDHHC20 (0.51) ZDHHC20ZDHHC2EPHX1FAAHCASP2
SCHEMBL7203269 0.76 SMN1; SMN2 (0.42) FAAHTSHRHTT
SCHEMBL11444171 0.73 EPHX1 (0.50) ZDHHC20ZDHHC2EPHX1CASP2
SCHEMBL11337878 0.72 FAAH (0.53) ZDHHC20ZDHHC2EPHX1FAAHTSHR
SCHEMBL11221492 0.72 ZDHHC20 (0.47) ZDHHC20ZDHHC2EPHX1FAAHCASP2

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-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed