SCHEMBL4645918

SCHEMBL4645918

CCOC(=O)C(Cc1ccc(OC(C)=O)cc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
EPHX2 P34913 1/20 0.36
ELANE P08246 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL7538811 0.89 SCN9A (0.44) SCN9AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL20543742 0.86 LDHA (0.50) SCN9ALMNAKMT2AMAPTCRHBP
SCHEMBL4644483 0.86 SCN9A (0.41) SCN9ALMNAKMT2AMAPTCRHBP
SCHEMBL4641488 0.84 BCL9 (0.44) SCN9ALMNAKMT2AMAPTCRHBP
SCHEMBL4646088 0.83 BCL9 (0.43) SCN9ALMNAKMT2AMAPTCRHBP
SCHEMBL20543556 0.82 PPARG (0.47) SCN9ALMNAKMT2APOLBMAPT
SCHEMBL20543685 0.80 L3MBTL1 (0.58) SCN9ALMNAL3MBTL1ALDH1A1
SCHEMBL21510453 0.79 LMNA (0.49) SCN9ALMNAKMT2APOLBMAPT
SCHEMBL20543397 0.74 SCN9A (0.39) SCN9AMAPTCRHBPCRHR2L3MBTL1
SCHEMBL20543678 0.74 ALDH1A1 (0.46) SCN9ALMNAKMT2APOLBMAPT

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