SCHEMBL4644176

SCHEMBL4644176

O=C(CCCO)C(=O)C(Br)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.60
CES1 P23141 4/20 0.60
CCR3 P51677 1/20 0.36
SRC P12931 2/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CAMK2A Q9UQM7 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL4646377 0.95 CES2 (0.58) CES2CES1CCR3SRCCYP2D6
SCHEMBL4642828 0.89 CES2 (0.64) CES2CES1SRCCYP2D6LMNA
SCHEMBL4647280 0.85 CES2 (0.58) CES2CES1SRCCYP2D6LMNA
SCHEMBL27620008 0.83 CES2 (0.57) CES2CES1SRCCYP2D6LMNA
SCHEMBL4647622 0.83 CES2 (0.57) CES2CES1CYP2D6LMNAALDH1A1
SCHEMBL4643576 0.82 TDP1 (0.42) CES2CES1CCR3SRCCYP2D6
SCHEMBL4644116 0.82 CES2 (0.69) CES2CES1SRCCYP2D6LMNA
SCHEMBL27601450 0.81 CES2 (0.62) CES2CES1SRCCYP2D6LMNA
SCHEMBL4641491 0.79 MEN1 (0.39) CES2CES1CCR3SRCCYP2D6
SCHEMBL4642623 0.77 TDP1 (0.41) CES2CES1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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