SCHEMBL9775730

SCHEMBL9775730

OCC=CCCCCC(O)=CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PPARD Q03181 5/20 0.36
PPARA Q07869 5/20 0.36
F7 P08709 5/20 0.36
F3 P13726 5/20 0.36
MAPT P10636 4/20 0.36
TERT O14746 3/20 0.36
PTPN1 P18031 3/20 0.36
BLM P54132 3/20 0.36
HSD17B10 Q99714 3/20 0.36
PTGS1 P23219 3/20 0.36
FABP4 P15090 2/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
DUSP3 P51452 2/20 0.36
CYP19A1 P11511 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN7 P35236 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL2285676 0.84 PPARG (0.58) PPARGPPARDPPARAF7F3
SCHEMBL726983 0.81 PPARG (0.55) PPARGPPARDPPARAF7F3
SCHEMBL7127822 0.77 FAAH (0.33) PPARGPPARDPPARAF7F3
SCHEMBL16220975 0.77 FAAH (0.33) PPARGPPARDPPARAF7F3
SCHEMBL7127824 0.77 FAAH (0.33) PPARGPPARDPPARAF7F3
SCHEMBL8984377 0.74 PPARG (0.63) PPARGPPARDPPARAF7F3
SCHEMBL8327969 0.74 PPARG (0.63) PPARGPPARDPPARAF7F3
SCHEMBL829863 0.74 FAAH (0.38) PPARGPPARDPPARAF7F3
SCHEMBL829864 0.74 FAAH (0.38) PPARGPPARDPPARAF7F3
SCHEMBL14702360 0.74 FAAH (0.38) 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-5077427-A PREPARATION OF ALPHA-FORMYLAMINO NITRILES BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
US-5077426-A PREPARATION OF ALPHA-FORMYLAMINO NITRILES BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed