SCHEMBL4644398

SCHEMBL4644398

O=C(CCCCCl)C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.38
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
CYP1A2 P05177 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4644154 0.95 KCNN4 (0.39) KCNN4CES2CES1CYP1A2HDAC1
SCHEMBL4642060 0.87 KCNN4 (0.41) KCNN4CES2CES1CYP1A2MAPT
SCHEMBL4641546 0.85 CYP1A2 (0.48) CES2CES1CYP1A2HDAC1HDAC2
SCHEMBL4643944 0.84 KCNN4 (0.39) KCNN4CES2CES1CYP1A2HDAC1
SCHEMBL27601463 0.83 KCNN4 (0.38) KCNN4CES2CES1CYP1A2HDAC1
SCHEMBL4645043 0.82 KCNN4 (0.40) KCNN4CES2CES1CYP1A2HDAC1
SCHEMBL11598693 0.82 HDAC1 (0.42) KCNN4CES1CYP1A2HDAC1HDAC2
SCHEMBL4644502 0.80 KCNN4 (0.44) KCNN4CES2CES1CYP1A2MAPT
SCHEMBL10587260 0.79 HDAC1 (0.56) CES1HDAC1HDAC2HDAC3HDAC4
SCHEMBL4643705 0.79 CYP1A2 (0.50) CES2CES1CYP1A2HDAC1HDAC2

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