SCHEMBL7702802

SCHEMBL7702802

C=C(CCCC(=O)O)C(=O)OCCCCOC(=O)C(=C)CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 7/20 0.41
LMNA P02545 3/20 0.40
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
NPC1 O15118 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 1/20 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
SCHEMBL7696782 0.98 ALDH1A1 (0.45) SLC22A6ALDH1A1TSHRLMNANFKB1
SCHEMBL1578473 0.92 SLC22A6 (0.46) SLC22A6ALDH1A1TSHRLMNANFKB1
SCHEMBL18007130 0.89 TSHR (0.49) SLC22A6ALDH1A1TSHRTDP1KMT2A
SCHEMBL7700712 0.88 SLC22A6 (0.42) SLC22A6ALDH1A1TSHRLMNANFKB1
SCHEMBL18007141 0.86 AKR1B1 (0.43) SLC22A6ALDH1A1TSHRTDP1KMT2A
Myristic Acid SCHEMBL27874608 0.86 TSHR (0.59) SLC22A6ALDH1A1TSHRLMNATDP1
Dodecanoate SCHEMBL27900821 0.86 TSHR (0.59) SLC22A6ALDH1A1TSHRLMNATDP1
SCHEMBL7330520 0.82 SLC22A6 (0.44) SLC22A6ALDH1A1TSHRTDP1KMT2A
SCHEMBL18122757 0.81 ALDH1A1 (0.46) SLC22A6ALDH1A1TSHRLMNANFKB1
SCHEMBL16415705 0.80 SLC22A6 (0.52) SLC22A6ALDH1A1TSHRLMNANFKB1

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