SCHEMBL4645089

SCHEMBL4645089

CCOC(=O)/C=C/C(=O)OCC(=O)OC(=O)CBr

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HCAR2 Q8TDS4 2/20 0.50
TRPA1 O75762 1/20 0.50
MAPT P10636 12/20 0.42
LMNA P02545 2/20 0.39
MDM2 Q00987 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MDM4 O15151 1/20 0.39
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4641767 1.00 ALDH1A1 (0.50) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4641752 1.00 ALDH1A1 (0.50) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4645194 0.86 HCAR2 (0.46) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4641610 0.86 HCAR2 (0.46) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4641595 0.86 HCAR2 (0.46) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4643654 0.83 HCAR2 (0.47) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4643643 0.83 HCAR2 (0.47) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4646359 0.83 HCAR2 (0.47) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL6519747 0.81 HCAR2 (0.61) ALDH1A1HCAR2TRPA1MAPTLMNA
SCHEMBL4642374 0.79 HCAR2 (0.47) ALDH1A1HCAR2MAPTLMNAMDM2

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