SCHEMBL4644154

SCHEMBL4644154

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.39
CYP1A2 P05177 2/20 0.38
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HIF1A Q16665 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 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
SCHEMBL4644398 0.95 KCNN4 (0.38) KCNN4CYP1A2CES2CES1NPSR1
SCHEMBL4642060 0.89 KCNN4 (0.41) KCNN4CYP1A2CES2CES1NPSR1
SCHEMBL27601463 0.84 KCNN4 (0.38) KCNN4CYP1A2CES2CES1NPSR1
SCHEMBL4643705 0.84 CYP1A2 (0.50) CYP1A2CES2CES1HIF1ACYP2C19
SCHEMBL4645043 0.84 KCNN4 (0.40) KCNN4CYP1A2CES2CES1NPSR1
SCHEMBL4643944 0.82 KCNN4 (0.39) KCNN4CYP1A2CES2CES1NPSR1
SCHEMBL4644502 0.81 KCNN4 (0.44) KCNN4CYP1A2CES2CES1NPSR1
SCHEMBL10587260 0.81 HDAC1 (0.56) CES1MAPK1HDAC3HDAC4HDAC1
SCHEMBL4645036 0.79 KCNN4 (0.42) KCNN4CYP1A2CES2CES1NPSR1
SCHEMBL4641546 0.79 CYP1A2 (0.48) CYP1A2CES2CES1HIF1ACYP2C19

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