SCHEMBL4644841

SCHEMBL4644841

[CH2]CCC(=O)Oc1ccc(OC)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL4641759 0.91 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4645740 0.87 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL4642618 0.86 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4641715 0.85 TDP1 (0.45) HTTLMNASMN1; SMN2HSD17B10KMT2A
SCHEMBL4646609 0.84 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL4643648 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4642357 0.82 KDM4E (0.51) LMNAHSD17B10ALDH1A1
SCHEMBL27728359 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4644084 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4642142 0.82 CA12 (0.49) CA12CA1CA2CA7CA9

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