SCHEMBL4645362

SCHEMBL4645362

[CH2]CCC(=O)Oc1cc(OCC)cc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.39
PARP10 Q53GL7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
NQO1 P15559 1/20 0.35
PLK1 P53350 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
SCHEMBL4643585 0.91 NPC1 (0.41) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4646736 0.86 KMT2A (0.55) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4642148 0.85 PTGS2 (0.41) KMT2AMEN1LMNAALDH1A1PTGS2
SCHEMBL4646323 0.84 KMT2A (0.42) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4641756 0.82 TOP2A (0.47) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4644120 0.81 NPC1 (0.41) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4645092 0.81 NPC1 (0.41) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4642531 0.79 PTGS2 (0.41) KMT2AMEN1LMNAALDH1A1PTGS2
SCHEMBL4644551 0.79 KMT2A (0.40) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4641904 0.79 KMT2A (0.40) KMT2AMEN1HTTLMNAALDH1A1

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