SCHEMBL4644423

SCHEMBL4644423

O=C(CCl)C(=O)CCCCCl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.43
CES1 P23141 6/20 0.43
FAAH O00519 2/20 0.38
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL4646589 0.92 CES1 (0.41) CES2CES1FAAHTSHRALDH1A1
SCHEMBL4644166 0.81 GPR84 (0.46) CES2CES1TSHRLMNA
SCHEMBL4646847 0.79
SCHEMBL4642219 0.79 CES2 (0.40) CES2CES1FAAHTSHR
SCHEMBL2487217 0.78 OR51E2 (0.46) CES2CES1FAAHTSHRLMNA
SCHEMBL4641956 0.78 CAMK2A (0.46) CES2CES1TSHR
SCHEMBL10980448 0.76 OR51E2 (0.43) CES2CES1FAAHTSHRLMNA
SCHEMBL10985970 0.76 OR51E2 (0.43) CES2CES1FAAHTSHRLMNA
SCHEMBL10979886 0.76 OR51E2 (0.43) CES2CES1FAAHTSHRLMNA
SCHEMBL10984852 0.76 OR51E2 (0.43) CES2CES1FAAHTSHRLMNA

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