SCHEMBL4645783

SCHEMBL4645783

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AB1 P08238 1/20 0.37
MEN1 O00255 1/20 0.36
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.32
BACE1 P56817 2/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL4643742 0.90 KMT2A (0.41) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL8655756 0.87 KMT2A (0.48) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL4644738 0.83 HSP90AB1 (0.39) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL8654408 0.83 KMT2A (0.48) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL8651557 0.83 KMT2A (0.44) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL4643939 0.82 CYP3A4 (0.56) KMT2ALMNAMEN1CNR1CNR2
SCHEMBL4646644 0.82 VCAM1 (0.42) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL8650698 0.82 KMT2A (0.47) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL8653636 0.82 KMT2A (0.47) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL8653228 0.82 KMT2A (0.47) KMT2AMAPTALDH1A1LMNAHTT

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