SCHEMBL4648023

SCHEMBL4648023

CCOC(=O)/C=C\C(=O)OCCCC(=O)Oc1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
AKR1B10 O60218 3/20 0.44
AKR1B1 P15121 3/20 0.44
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA2 P00918 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
MDM2 Q00987 1/20 0.40
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL4647847 1.00 CYP3A4 (0.44) CYP3A4AKR1B10AKR1B1HSD17B1HSD17B2
SCHEMBL4644842 0.90 CYP3A4 (0.44) CYP3A4AKR1B10AKR1B1CA12CA1
SCHEMBL4642168 0.90 CYP3A4 (0.44) CYP3A4AKR1B10AKR1B1CA12CA1
SCHEMBL4642939 0.87 ATM (0.42) CYP3A4CA12CA1CA7CA9
SCHEMBL4642242 0.87 ATM (0.42) CYP3A4CA12CA1CA7CA9
SCHEMBL4641661 0.85 MAPT (0.49) CYP3A4HSD17B1HSD17B2CA12CA1
SCHEMBL4642430 0.85 MAPT (0.49) CYP3A4HSD17B1HSD17B2CA12CA1
SCHEMBL4644379 0.85 CA12 (0.51) AKR1B10AKR1B1CA12CA1CA7
SCHEMBL4641671 0.85 MAPT (0.49) CYP3A4HSD17B1HSD17B2CA12CA1
SCHEMBL4644368 0.85 CA12 (0.51) AKR1B10AKR1B1CA12CA1CA7

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