SCHEMBL7696782

SCHEMBL7696782

C=C(CCCC(=O)O)C(=O)OCCCCCCOC(=O)C(=C)CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 8/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
GPR84 Q9NQS5 4/20 0.37
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35
PPARA Q07869 4/20 0.35

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
SCHEMBL7702802 0.98 SLC22A6 (0.46) ALDH1A1TSHRSLC22A6LMNANFKB1
SCHEMBL1578473 0.90 SLC22A6 (0.46) ALDH1A1TSHRSLC22A6LMNANFKB1
Myristic Acid SCHEMBL27874608 0.88 TSHR (0.59) ALDH1A1TSHRSLC22A6LMNATDP1
Dodecanoate SCHEMBL27900821 0.88 TSHR (0.59) ALDH1A1TSHRSLC22A6LMNATDP1
SCHEMBL18007130 0.87 TSHR (0.49) ALDH1A1TSHRSLC22A6TDP1GPR84
SCHEMBL7700712 0.86 SLC22A6 (0.42) ALDH1A1TSHRSLC22A6LMNANFKB1
SCHEMBL18007141 0.85 AKR1B1 (0.43) ALDH1A1TSHRSLC22A6TDP1GPR84
SCHEMBL18122757 0.83 ALDH1A1 (0.46) ALDH1A1TSHRSLC22A6LMNANFKB1
SCHEMBL7330520 0.80 SLC22A6 (0.44) ALDH1A1TSHRSLC22A6TDP1GPR84
Decanoic Acid SCHEMBL8194069 0.79 TSHR (0.57) ALDH1A1TSHRSLC22A6TDP1GPR84

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