SCHEMBL4644379

SCHEMBL4644379

CCOC(=O)C=CC(=O)OCCCC(=O)Oc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ATM Q13315 1/20 0.46
EPHX2 P34913 1/20 0.44
KMT2A Q03164 3/20 0.43
ESR1 P03372 3/20 0.42
LMNA P02545 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL4644368 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4644875 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4644504 0.96 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4643321 0.96 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4641955 0.89 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL4643311 0.89 LMNA (0.47) ATMEPHX2KMT2ALMNACYP1A2
SCHEMBL4641969 0.89 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL4643303 0.89 LMNA (0.47) ATMEPHX2KMT2ALMNACYP1A2
SCHEMBL4644861 0.89 LMNA (0.47) CA12CA1CA2CA7CA9
SCHEMBL4643904 0.89 LMNA (0.47) ATMEPHX2KMT2ALMNACYP1A2

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