SCHEMBL4641808

SCHEMBL4641808

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 5/20 0.43
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NAAA Q02083 1/20 0.33
GAA P10253 1/20 0.33
DGKA P23743 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4641993 1.00 ATM (0.45) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4641815 1.00 ATM (0.45) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4641531 0.90 HCAR2 (0.44) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4641539 0.90 HCAR2 (0.44) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4643746 0.90 HCAR2 (0.44) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4641675 0.89 ATM (0.41) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4642380 0.89 ATM (0.41) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4641688 0.89 ATM (0.41) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4643956 0.84 ATM (0.46) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL4644635 0.84 ATM (0.46) ATMHCAR2MAPTRAB9ANPSR1

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