SCHEMBL8733126

SCHEMBL8733126

CC(=O)CCCCCC(=O)O.CC(C)(C)CCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
LMNA P02545 3/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
PTPN1 P18031 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
FABP4 P15090 2/20 0.46
FFAR1 O14842 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46

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
Acetic Acid SCHEMBL27747008 0.91 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
Acetic Acid SCHEMBL5512501 0.91 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5819774 0.91 PAOX (0.52) TSHRLMNANFKB1PMP22TDP1
SCHEMBL26042660 0.91 PAOX (0.52) TSHRLMNANFKB1PMP22TDP1
SCHEMBL1785870 0.91 PAOX (0.52) TSHRLMNANFKB1PMP22TDP1
SCHEMBL9386368 0.91 PAOX (0.52) TSHRLMNANFKB1PMP22TDP1
SCHEMBL8898949 0.91 PAOX (0.52) TSHRLMNANFKB1PMP22TDP1
SCHEMBL25307961 0.91 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1116115 0.91 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14335482 0.91 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84

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-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed