SCHEMBL4644871

SCHEMBL4644871

CC[CH]C(=O)Oc1c(C=O)cccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
TLR2 O60603 1/20 0.50
ERN1 O75460 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
NFE2L2 Q16236 4/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4643837 0.89 SRC (0.51) SRCTLR2ERN1TLR1TLR6
SCHEMBL4642367 0.87 ALDH1A1 (0.44) SRCTLR2ERN1TLR1TLR6
SCHEMBL4642146 0.84 SRC (0.57) SRCTLR2ERN1TLR1TLR6
SCHEMBL24810562 0.82 SRC (0.56) SRCTLR2ERN1TLR1TLR6
SCHEMBL4642393 0.82 CA1 (0.57) SRCTLR2ERN1TLR1TLR6
SCHEMBL4646424 0.82 ERN1 (0.45) SRCTLR2ERN1TLR1TLR6
SCHEMBL4647755 0.82 ALDH1A1 (0.52) SRCTLR2ERN1TLR1TLR6
SCHEMBL16112334 0.82 SRC (0.62) SRCTLR2ERN1TLR1TLR6
SCHEMBL16048364 0.80 SRC (0.60) SRCTLR2ERN1TLR1TLR6
SCHEMBL807200 0.80 TLR2 (0.62) SRCTLR2ERN1TLR1TLR6

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