SCHEMBL9773244

SCHEMBL9773244

CCCCCCCCCCCCC(OS(=O)(=O)C(F)(F)F)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
TP53 P04637 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
FAAH O00519 3/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL9702539 1.00 MAPT (0.40) MAPTGPR84FFAR1ZDHHC7TP53
SCHEMBL9773246 1.00 MAPT (0.40) MAPTGPR84FFAR1ZDHHC7TP53
SCHEMBL9773214 1.00 MAPT (0.40) MAPTGPR84FFAR1ZDHHC7TP53
SCHEMBL9327185 0.88 HTT (0.36) MAPT
SCHEMBL14003053 0.88 HTT (0.36) MAPT
SCHEMBL5693888 0.86 MAPT (0.47) MAPTGPR84FFAR1LCKPPARD
SCHEMBL7300094 0.82 CTRC (0.49)
SCHEMBL7300090 0.82 CTRC (0.49)
SCHEMBL29926202 0.81 MAPT (0.33) MAPT
SCHEMBL2326461 0.81 HSD17B10 (0.35) MAPTTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0338508-A2 Esters from amino-acids, their preparation process, drugs containing same and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-25 EP disclosed