SCHEMBL8948233

SCHEMBL8948233

CCCCCCCCCCCCCCCCCC1(CC(=O)O)OCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13124953 1.00 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL4353419 1.00 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL13124944 0.98 AKR1B1 (0.39) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL3254927 0.85 FFAR3 (0.32) TSHRKMT2A
SCHEMBL30143360 0.84 MEN1 (0.37) MEN1KMT2A
SCHEMBL23281437 0.82 FOLH1 (0.38) HDAC11
SCHEMBL25428919 0.82 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL24813450 0.82 LMNA (0.41) HDAC11TSHRALDH1A1MEN1ALOX15
SCHEMBL14169233 0.81 POLB (0.38)
SCHEMBL14779365 0.80 TSHR (0.40) TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519128-A Process for the synthesis of acylated derivatives of fatty acid-transporting thiols and in particular acyl-coenzymes A and the thus obtained acyl-coenzymes A COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-05-21 US disclosed
US-5424415-A Process for the synthesis of acylated derivatives of fatty acid-transporting thiols and in particular acyl-coenzymes A and the thus obtained acyl-coenzymes A COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-06-13 US disclosed