SCHEMBL4644483

SCHEMBL4644483

[CH2]CC(=O)Oc1ccc(CC(C(=O)OCC)[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MAPT P10636 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.34
ESR1 P03372 1/20 0.34
HIF1A Q16665 1/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
PTGS2 P35354 1/20 0.33
MMP8 P22894 1/20 0.33
PPARG P37231 2/20 0.33

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
SCHEMBL4641488 0.90 BCL9 (0.44) SCN9ABCL9CTNNB1MAPTCRHBP
SCHEMBL4646088 0.89 BCL9 (0.43) SCN9ABCL9CTNNB1MAPTCRHBP
SCHEMBL4645918 0.86 SCN9A (0.45) SCN9ABCL9CTNNB1MAPTCRHBP
SCHEMBL7538811 0.85 SCN9A (0.44) SCN9AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL20543742 0.83 LDHA (0.50) SCN9AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL20543556 0.79 PPARG (0.47) SCN9AMAPTL3MBTL1EPHX2KMT2A
SCHEMBL20543685 0.77 L3MBTL1 (0.58) SCN9AL3MBTL1ALDH1A1PPARGPPARA
SCHEMBL20543678 0.74 ALDH1A1 (0.46) SCN9AMAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL20543397 0.71 SCN9A (0.39) SCN9AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL20543688 0.71 TAAR1 (0.48) SCN9AMAPTCRHBPCRHR2L3MBTL1

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