SCHEMBL4643746

SCHEMBL4643746

CCOC(=O)/C=C/C(=O)OCCC(=O)OC(=O)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.44
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
MDM2 Q00987 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 1/20 0.33
TTR P02766 1/20 0.31
DPP4 P27487 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL4641539 1.00 HCAR2 (0.44) HCAR2ATMCA12CA1CA2
SCHEMBL4641531 1.00 HCAR2 (0.44) HCAR2ATMCA12CA1CA2
SCHEMBL4641993 0.90 ATM (0.45) HCAR2ATMCA12CA1CA2
SCHEMBL4641815 0.90 ATM (0.45) HCAR2ATMCA12CA1CA2
SCHEMBL4641808 0.90 ATM (0.45) HCAR2ATMCA12CA1CA2
SCHEMBL4641725 0.88 HCAR2 (0.41) HCAR2ATMMAPTALDH1A1NPSR1
SCHEMBL4641316 0.88 HCAR2 (0.41) HCAR2ATMMAPTALDH1A1NPSR1
SCHEMBL4641325 0.88 HCAR2 (0.41) HCAR2ATMMAPTALDH1A1NPSR1
SCHEMBL4642374 0.84 HCAR2 (0.47) HCAR2ATMCA12CA1CA2
SCHEMBL4644274 0.84 HCAR2 (0.47) HCAR2ATMCA12CA1CA2

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