SCHEMBL4645064

SCHEMBL4645064

[CH2]C(=O)Oc1c(C=O)cccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.59
TLR2 O60603 1/20 0.56
ERN1 O75460 1/20 0.56
TLR1 Q15399 1/20 0.56
TLR6 Q9Y2C9 1/20 0.56
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NFE2L2 Q16236 3/20 0.50
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TFEB P19484 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL16112334 0.87 SRC (0.62) SRCTLR2ERN1TLR1TLR6
SCHEMBL807200 0.85 TLR2 (0.62) SRCTLR2ERN1TLR1TLR6
SCHEMBL16048364 0.85 SRC (0.60) SRCTLR2ERN1TLR1TLR6
SCHEMBL24810562 0.84 SRC (0.56) SRCTLR2ERN1TLR1TLR6
SCHEMBL1665129 0.84 SRC (0.59) SRCTLR2ERN1TLR1TLR6
SCHEMBL24967159 0.83 TLR2 (0.55) SRCTLR2ERN1TLR1TLR6
SCHEMBL4642150 0.83 SRC (0.55) SRCTLR2ERN1TLR1TLR6
SCHEMBL6553836 0.83 ALDH1A1 (0.46) SRCTLR2ERN1TLR1TLR6
SCHEMBL4642146 0.83 SRC (0.57) SRCTLR2ERN1TLR1TLR6
SCHEMBL4645165 0.81 SRC (0.56) 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