SCHEMBL4643737

SCHEMBL4643737

CCC[CH]C(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 4/20 0.39
PTPN11 Q06124 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PTPN2 P17706 2/20 0.37
BACE1 P56817 1/20 0.37
HSP90AB1 P08238 1/20 0.35
PTGES O14684 1/20 0.35
TOP2A P11388 1/20 0.35
CYP3A4 P08684 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PTGS2 P35354 2/20 0.34

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
SCHEMBL4645779 0.85 MEN1 (0.46) MEN1MAPTKMT2APTPN1PTPN11
SCHEMBL4644818 0.83 CYP3A4 (0.57) MEN1KMT2ACYP3A4ESR1
SCHEMBL4645333 0.81 THRB (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL4643582 0.80 PTGS2 (0.39) MEN1KMT2APTGS2ALDH1A1TSHR
SCHEMBL6247098 0.76 ZDHHC2 (0.48) MEN1MAPTKMT2ATHRBALDH1A1
SCHEMBL4642186 0.74 THRB (0.45) MEN1KMT2ACA1CA2THRB
SCHEMBL4644736 0.74 MEN1 (0.50) MEN1MAPTKMT2APTPN1PTPN11
SCHEMBL4644060 0.74 CYP3A4 (0.41) MAPTKMT2APTPN1BACE1PTGES
SCHEMBL28468806 0.73 BCL9 (0.49) MEN1MAPTKMT2APTPN1PTPN11
SCHEMBL4646065 0.73 MGLL (0.49) MEN1MAPTKMT2ATHRB

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