SCHEMBL4646386

SCHEMBL4646386

CCC(OC(=O)/C=C\C(=O)OC)C(=O)Oc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.39
MGLL Q99685 1/20 0.39
MAOB P27338 2/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 5/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAOA P21397 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL4644149 1.00 MMP1 (0.39) MMP1MGLLMAOBKDM4EALDH1A1
SCHEMBL4644137 1.00 MMP1 (0.39) MMP1MGLLMAOBKDM4EALDH1A1
SCHEMBL4645137 0.90 MAOB (0.40) MMP1MGLLMAOBALDH1A1MEN1
SCHEMBL4645123 0.90 MAOB (0.40) MMP1MGLLMAOBALDH1A1MEN1
SCHEMBL4645667 0.90 MAOB (0.40) MMP1MGLLMAOBALDH1A1MEN1
SCHEMBL4642137 0.89 TAS1R3 (0.43) MAOBALDH1A1KMT2ATDP1LMNA
SCHEMBL4644928 0.89 TAS1R3 (0.43) MAOBALDH1A1KMT2ATDP1LMNA
SCHEMBL4642151 0.89 TAS1R3 (0.43) MAOBALDH1A1KMT2ATDP1LMNA
SCHEMBL4644857 0.88 CA12 (0.44) MMP1MAOBKDM4EALDH1A1MEN1
SCHEMBL4641952 0.88 CA12 (0.44) MMP1MAOBKDM4EALDH1A1MEN1

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