SCHEMBL4647280

SCHEMBL4647280

O=C(CCCCl)C(=O)C(Br)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.58
CES1 P23141 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 6/20 0.36
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL4647622 0.95 CES2 (0.57) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL27601450 0.90 CES2 (0.62) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL27620008 0.85 CES2 (0.57) CES2CES1SMN1; SMN2ALDH1A1HTT
SCHEMBL4644176 0.85 CES2 (0.60) CES2CES1ALDH1A1LMNACYP2D6
SCHEMBL4646377 0.83 CES2 (0.58) CES2CES1ALDH1A1LMNACYP2D6
SCHEMBL4643780 0.83 TDP1 (0.41) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL4644366 0.82 CES2 (0.67) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL4645376 0.81 SMN1; SMN2 (0.39) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL4642828 0.81 CES2 (0.64) CES2CES1SMN1; SMN2LMNACYP2D6
SCHEMBL4641545 0.78 TDP1 (0.40) CES2CES1SMN1; SMN2POLBALDH1A1

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