SCHEMBL4641783

SCHEMBL4641783

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNF P01375 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPK1 P28482 1/20 0.36
PTGS2 P35354 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
SCHEMBL4644991 0.97 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4644316 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4643979 0.90 L3MBTL1 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4641517 0.89 L3MBTL1 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4644930 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4642614 0.88 TOP2A (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4642306 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4641790 0.80 CYP4F2 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4136743 0.77 MAPT (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4644996 0.77 CYP4F2 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A

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