SCHEMBL4644366

SCHEMBL4644366

O=C(CCl)C(=O)C(Br)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.67
CES1 P23141 2/20 0.67
ALDH1A1 P00352 7/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.41
TRPA1 O75762 1/20 0.41
GSK3B P49841 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL27601450 0.85 CES2 (0.62) CES2CES1ALDH1A1HTTSMN1; SMN2
SCHEMBL4644116 0.82 CES2 (0.69) CES2CES1LMNAMAPK1CYP2D6
SCHEMBL4647280 0.82 CES2 (0.58) CES2CES1ALDH1A1HTTSMN1; SMN2
SCHEMBL4647622 0.81 CES2 (0.57) CES2CES1ALDH1A1HTTSMN1; SMN2
SCHEMBL4641484 0.80 TDP1 (0.47) CES2CES1ALDH1A1HTTSMN1; SMN2
SCHEMBL4642828 0.79 CES2 (0.64) CES2CES1SMN1; SMN2LMNAMAPK1
SCHEMBL4643592 0.78 ALDH1A1 (0.42) CES2CES1ALDH1A1HTTSMN1; SMN2
SCHEMBL27620008 0.78 CES2 (0.57) CES2CES1ALDH1A1HTTSMN1; SMN2
SCHEMBL956722 0.77 CES2 (0.82) CES2CES1LMNAMAPK1TRPA1
SCHEMBL4644176 0.77 CES2 (0.60) CES2CES1ALDH1A1LMNAMAPK1

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