SCHEMBL7701549

SCHEMBL7701549

C=C(CCCC(=O)O)C(=O)OCC(COC(=O)C(=C)CCCC(=O)O)(COC(=O)C(=C)CCCC(=O)O)COC(=O)C(=C)CCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.42
LMNA P02545 3/20 0.37
TSHR P16473 4/20 0.36
NFKB1 P19838 2/20 0.36
PMP22 Q01453 1/20 0.36
CAMK2A Q9UQM7 1/20 0.33
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 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
SCHEMBL7696562 0.91 ALDH1A1 (0.42) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL7700327 0.91 SLC22A6 (0.38) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL7696063 0.85 SLC22A6 (0.39) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL7702802 0.80 SLC22A6 (0.46) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL1578473 0.80 SLC22A6 (0.46) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL7696782 0.78 ALDH1A1 (0.45) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL7330520 0.78 SLC22A6 (0.44) SLC22A6TSHRKMT2AHDAC11ALDH1A1
SCHEMBL16415705 0.77 SLC22A6 (0.52) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL7700712 0.77 SLC22A6 (0.42) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL18007141 0.76 AKR1B1 (0.43) SLC22A6TSHRKMT2AHDAC11ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348553-B1 CURABLE BENZOGUANAMINE MONOMERS HAVING (METH)ACRYLATE GROUP(S); FREE RADICAL POLYMERIZED; SOLVENT RESISTANCE, WATERPROOFING; BONDING STRENGTH; ADHESIVES MATSUI CHEMICAL CO., LTD. (JP) 2002-02-19 US disclosed