SCHEMBL4643771

SCHEMBL4643771

CCC[CH]C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.34
CES1 P23141 12/20 0.34
ALDH1A1 P00352 1/20 0.33
PLA2G4B P0C869 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G4A P47712 1/20 0.33
BLM P54132 1/20 0.33
MGLL Q99685 1/20 0.33
PLA2G4C Q9UP65 1/20 0.33
CES2 O00748 5/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLA2G6 O60733 1/20 0.32

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
SCHEMBL4644470 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4644746 0.83 CES1 (0.31) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4643185 0.82
SCHEMBL4644541 0.82
SCHEMBL4641581 0.73
SCHEMBL3171987 0.72 KEAP1 (0.35)
SCHEMBL6889394 0.72 KEAP1 (0.35)
SCHEMBL15347632 0.72 HCAR2 (0.53) ALDH1A1MAPT
SCHEMBL4645152 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4642572 0.71 ALDH1A1 (0.34) FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed