SCHEMBL4643979

SCHEMBL4643979

CCOC(=O)C(C)c1ccc(OC(=O)CCCCl)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 6/20 0.40
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
TOP2A P11388 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TNF P01375 1/20 0.37
PDK1 Q15118 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 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
SCHEMBL4641517 0.97 L3MBTL1 (0.40) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4642614 0.93 TOP2A (0.42) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4641783 0.90 ALDH1A1 (0.41) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4644991 0.89 ALDH1A1 (0.40) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4642306 0.89 ALDH1A1 (0.43) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4644316 0.88 ALDH1A1 (0.42) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4644930 0.85 ALDH1A1 (0.44) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4643983 0.80 MAPT (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL11679958 0.78 RAB9A (0.46) L3MBTL1ALDH1A1FFAR1KDM4EMAPT
SCHEMBL4641524 0.77 MAPT (0.43) ALDH1A1KDM4EMAPTTOP2ATDP1

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