SCHEMBL8458410

SCHEMBL8458410

CC(C)(C)CC=CCCCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.63
PPARD Q03181 5/20 0.63
PPARA Q07869 5/20 0.63
F7 P08709 5/20 0.63
F3 P13726 5/20 0.63
MAPT P10636 4/20 0.63
HSD17B10 Q99714 4/20 0.63
TERT O14746 3/20 0.63
PTPN1 P18031 3/20 0.63
BLM P54132 3/20 0.63
FABP4 P15090 3/20 0.63
LMNA P02545 3/20 0.63
ALOX15 P16050 3/20 0.63
CYP19A1 P11511 3/20 0.63
PTGS1 P23219 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
RECQL P46063 2/20 0.63
DUSP3 P51452 2/20 0.63
NR4A2 P43354 2/20 0.63
KMT2A Q03164 2/20 0.63

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
SCHEMBL13931836 0.92 PPARG (0.55) PPARGPPARDPPARAF7F3
SCHEMBL10608669 0.85 PPARG (0.63) PPARGPPARDPPARAF7F3
SCHEMBL10608663 0.85 PPARG (0.63) PPARGPPARDPPARAF7F3
SCHEMBL9738715 0.84 PPARG (0.52) PPARGPPARDPPARAF7F3
SCHEMBL9201429 0.84 PPARG (0.52) PPARGPPARDPPARAF7F3
SCHEMBL9201431 0.84 PPARG (0.52) PPARGPPARDPPARAF7F3
SCHEMBL25293847 0.83 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL285160 0.83 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL3891881 0.83 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL2937778 0.83 PPARG (0.78) PPARGPPARDPPARAF7F3

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-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 EP disclosed