SCHEMBL4644058

SCHEMBL4644058

CCCC(OC(=O)C=CC(=O)OCC)(C(=O)OC(C)=O)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 5/20 0.40
MDM2 Q00987 2/20 0.40
MDM4 O15151 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4642731 0.91 MAPT (0.43) MAPTLMNAMDM2MDM4PTGS2
SCHEMBL4641582 0.90 SRC (0.39) MAPTALDH1A1MAPK1KMT2A
SCHEMBL4642022 0.85 LMNA (0.36) MAPTLMNAMDM2MDM4NPC1
SCHEMBL4643871 0.82 MAPT (0.47) MAPTLMNAMDM2MDM4PTGS2
SCHEMBL4644585 0.80 SRC (0.40) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL4645849 0.71 HCAR2 (0.41) MAPTLMNAMDM2MDM4RAB9A
SCHEMBL4643564 0.71 MAPT (0.43) MAPTLMNAMDM2MDM4PTGS2
SCHEMBL4643595 0.71 MAPT (0.44) MAPTLMNAMDM2MDM4PTGS2
SCHEMBL4642012 0.70 MEN1 (0.41) MAPTLMNANPC1RAB9AALDH1A1
Diethyl Maleate SCHEMBL11324124 0.70 MAPT (0.60) MAPTLMNAMDM2MDM4PTGS2

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