SCHEMBL7700712

SCHEMBL7700712

C=C(CCCC(=O)O)C(=O)OCCOCCOC(=O)C(=C)CCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.42
THRB P10828 2/20 0.40
LMNA P02545 3/20 0.37
TSHR P16473 8/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PMP22 Q01453 2/20 0.36
NFKB1 P19838 1/20 0.36
CAMK2A Q9UQM7 1/20 0.33
BLM P54132 2/20 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
GABRA1 P14867 1/20 0.32
GABRB1 P18505 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
SCHEMBL1578473 0.88 SLC22A6 (0.46) SLC22A6THRBLMNATSHRALDH1A1
SCHEMBL7702802 0.88 SLC22A6 (0.46) SLC22A6THRBLMNATSHRALDH1A1
SCHEMBL7696782 0.86 ALDH1A1 (0.45) SLC22A6LMNATSHRALDH1A1HSD17B10
SCHEMBL18007141 0.83 AKR1B1 (0.43) SLC22A6TSHRALDH1A1HSD17B10KMT2A
SCHEMBL8145264 0.82 THRB (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL18007130 0.81 TSHR (0.49) SLC22A6TSHRALDH1A1HSD17B10KMT2A
SCHEMBL8769599 0.81 GAA (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL7330520 0.78 SLC22A6 (0.44) SLC22A6TSHRALDH1A1HSD17B10KMT2A
SCHEMBL16415705 0.77 SLC22A6 (0.52) SLC22A6THRBLMNATSHRALDH1A1
SCHEMBL7701549 0.77 SLC22A6 (0.42) SLC22A6THRBLMNATSHRALDH1A1

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