SCHEMBL4644617

SCHEMBL4644617

CCCC(OC(=O)C=CC(=O)OC)(C(=O)OC(C)=O)C(=O)c1ccccc1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
F2R P25116 4/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 3/20 0.30
MAPT P10636 2/20 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
SCHEMBL4642022 0.91 LMNA (0.36) KMT2ARAB9AHTTNPC1MEN1
SCHEMBL4641582 0.84 SRC (0.39) KMT2AHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4644585 0.75 SRC (0.40) HTTALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4644058 0.75 MAPT (0.42) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL4641685 0.74 HCAR2 (0.35)
SCHEMBL4643974 0.70 HCAR2 (0.41) ALDH1A1KDM4EMAPT
SCHEMBL6553847 0.68 ABCG2 (0.39) RAB9AHTTNPC1HPGDSMN1; SMN2
SCHEMBL4645122 0.66 SRC (0.43) RAB9AHTTNPC1ALDH1A1KDM4E
SCHEMBL4642731 0.65 MAPT (0.43) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL9510864 0.62 TSHR (0.51) KMT2ARAB9AHTTNPC1MEN1

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