SCHEMBL11348791

SCHEMBL11348791

C=CC(=O)NC(=O)NCCCCl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
ATG4B Q9Y4P1 1/20 0.33
EPHX1 P07099 5/20 0.32
GAA P10253 1/20 0.32
TGM2 P21980 1/20 0.32
MAPT P10636 1/20 0.31
PRMT1 Q99873 1/20 0.31

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
SCHEMBL11350873 0.88 TSHR (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL10431765 0.84
SCHEMBL22491992 0.78 ZDHHC20 (0.73) ZDHHC20ZDHHC2EPHX1
SCHEMBL28461098 0.78 ALDH1A1 (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL10961021 0.78 ZDHHC20 (0.62) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL8862890 0.77 ZDHHC20 (0.56) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL22196865 0.77 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1
SCHEMBL15547605 0.76 EPHX1 (0.50) ALDH1A1MAPK1FAAHSMN1; SMN2ATG4B
SCHEMBL11355012 0.76 TSHR (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL11360829 0.76 TSHR (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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-4281186-A PAPERMAKING, SEWAGE TREATMENT CHEMISCHE FABRIK STOCKHAUSEN & CIE (DE) 1981-07-28 US disclosed