SCHEMBL4644504

SCHEMBL4644504

CCOC(=O)/C=C\C(=O)OCCCCC(=O)Oc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
EPHX2 P34913 1/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.44
SLC22A2 O15244 1/20 0.44
TMPRSS2 O15393 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
F12 P00748 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44

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
SCHEMBL4643321 1.00 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4644379 0.96 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4644368 0.96 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4644875 0.96 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4646757 0.90 LMNA (0.46) CA12CA1CA2CA7CA9
SCHEMBL4641497 0.90 LMNA (0.46) CA12CA1CA2CA7CA9
SCHEMBL4644861 0.85 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL4641969 0.85 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL4641955 0.85 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL4643311 0.85 LMNA (0.47) EPHX2KMT2AATMCYP1A2CYP2D6

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