SCHEMBL4644593

SCHEMBL4644593

CCOC(=O)/C=C/C(=O)OCCCCC(=O)OC(=O)Cc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
MDM2 Q00987 2/20 0.38
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MDM4 O15151 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TBXAS1 P24557 2/20 0.34
ALOX5 P09917 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL4642018 1.00 CYP4F2 (0.41) CYP4F2CYP4A11MAPTLMNAMDM2
SCHEMBL4645130 0.91 ALDH1A1 (0.35) CYP4F2CYP4A11MAPTATMALDH1A1
SCHEMBL4644613 0.91 ALDH1A1 (0.35) CYP4F2CYP4A11MAPTATMALDH1A1
SCHEMBL4644063 0.83 MAPT (0.47) MAPTLMNAMDM2ATMALDH1A1
SCHEMBL4644051 0.83 MAPT (0.47) MAPTLMNAMDM2ATMALDH1A1
SCHEMBL4647685 0.83 MAPT (0.47) MAPTLMNAMDM2ATMALDH1A1
SCHEMBL4646783 0.80 MAPT (0.48) MAPTLMNAMDM2ATMALDH1A1
SCHEMBL4642735 0.80 MAPT (0.48) MAPTLMNAMDM2ATMALDH1A1
SCHEMBL4642727 0.80 MAPT (0.48) MAPTLMNAMDM2ATMALDH1A1
SCHEMBL4642013 0.77 EPHX2 (0.41) MAPTLMNAMDM2ALDH1A1MDM4

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