SCHEMBL6901731

SCHEMBL6901731

O=C(O)CCCCCCCCCCCCCCCCCOO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
ALDH1A1 P00352 4/20 0.62
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50
PTPN1 P18031 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL10939058 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL150861 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL28726889 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL13814545 0.97
SCHEMBL3446904 0.89
Stearic Acid SCHEMBL28063302 0.89 GPR84 (0.71) TSHRLMNAALDH1A1GPR84FFAR1
Dodecanoate SCHEMBL28063305 0.89 GPR84 (0.71) TSHRLMNAALDH1A1GPR84FFAR1
Stearic Acid SCHEMBL22159918 0.89 GPR84 (0.71) TSHRLMNAALDH1A1GPR84FFAR1
SCHEMBL14424072 0.87 PPARG (0.60) TSHRLMNAALDH1A1FFAR1FFAR4
Succinic Acid SCHEMBL22186969 0.81 GPR84 (0.60) TSHRLMNAALDH1A1GPR84FFAR1

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-20040138359-A1 Environmentally Friendly Composition ULRICH WALCHER (DE) 2004-07-15 US disclosed