SCHEMBL4645130

SCHEMBL4645130

COC(=O)/C=C\C(=O)OCCCCC(=O)OC(=O)Cc1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
ALOX5 P09917 3/20 0.34
HCAR2 Q8TDS4 3/20 0.33
RIPK1 Q13546 1/20 0.33
ATM Q13315 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
GLS O94925 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL4644613 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRAKR1B10AKR1B1
SCHEMBL4642018 0.91 CYP4F2 (0.41) ALDH1A1ALOX5HCAR2ATMCYP4F2
SCHEMBL4644593 0.91 CYP4F2 (0.41) ALDH1A1ALOX5HCAR2ATMCYP4F2
SCHEMBL4641576 0.83 HCAR2 (0.45) ALDH1A1KDM4ETSHRAKR1B10AKR1B1
SCHEMBL4641588 0.83 HCAR2 (0.45) ALDH1A1KDM4ETSHRAKR1B10AKR1B1
SCHEMBL4641919 0.83 HCAR2 (0.45) ALDH1A1KDM4ETSHRAKR1B10AKR1B1
SCHEMBL4647801 0.80 HCAR2 (0.46) ALDH1A1KDM4ETSHRAKR1B10AKR1B1
SCHEMBL4644581 0.80 HCAR2 (0.46) ALDH1A1KDM4ETSHRAKR1B10AKR1B1
SCHEMBL4644589 0.80 HCAR2 (0.46) ALDH1A1KDM4ETSHRAKR1B10AKR1B1
SCHEMBL4644608 0.76 EPHX2 (0.39) ALDH1A1TSHRRIPK1KMT2APOLB

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