SCHEMBL4644112

SCHEMBL4644112

COC(=O)/C=C/C(=O)OCC(C)(C(=O)OC(=O)Cc1ccccc1)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
PAM P19021 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.38
MMP8 P22894 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4643558 0.90 MAPT (0.47) ADRB2ADRB1ADRB3HCAR2ALDH1A1
SCHEMBL4647898 0.90 MAPT (0.47) ADRB2ADRB1ADRB3HCAR2ALDH1A1
SCHEMBL4645073 0.80 MAPT (0.49) HCAR2ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4647774 0.80 MAPT (0.49) HCAR2ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4645084 0.80 MAPT (0.49) HCAR2ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4648063 0.78 HCAR2 (0.48) HCAR2ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4645111 0.78 HCAR2 (0.48) HCAR2ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4645129 0.78 HCAR2 (0.48) HCAR2ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4644615 0.77 TSHR (0.43) ADRB2ADRB1ADRB3HCAR2ALDH1A1
SCHEMBL4643237 0.77 TSHR (0.43) ADRB2ADRB1ADRB3HCAR2ALDH1A1

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