SCHEMBL4644580

SCHEMBL4644580

O=C(CCCO)Oc1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.41
POLB P06746 1/20 0.35
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
NMT1 P30419 1/20 0.31
HTT P42858 1/20 0.31
KAT2B Q92831 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL4647539 0.95 VCAM1 (0.42) VCAM1POLBKDM4EALDH1A1RECQL
SCHEMBL4645070 0.92 VCAM1 (0.39) VCAM1POLBKDM4EALDH1A1TDP1
SCHEMBL4641988 0.90 VCAM1 (0.38) VCAM1POLBKDM4EALDH1A1RECQL
SCHEMBL4642068 0.88 VCAM1 (0.40) VCAM1POLBKDM4EALDH1A1TDP1
SCHEMBL4642019 0.87 POLB (0.38) POLBKDM4EALDH1A1RECQLTDP1
SCHEMBL4641868 0.86 VCAM1 (0.43) VCAM1KDM4EALDH1A1TDP1KMT2A
SCHEMBL4644113 0.85 POLB (0.37) VCAM1POLBKDM4EALDH1A1RECQL
SCHEMBL4644489 0.85 POLB (0.35) POLBKDM4EALDH1A1TDP1KMT2A
SCHEMBL27619991 0.85 POLB (0.35) VCAM1POLBKDM4EALDH1A1TDP1
SCHEMBL4642139 0.83 VCAM1 (0.43) VCAM1KDM4ERECQLTDP1KMT2A

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