SCHEMBL8961932

SCHEMBL8961932

CCCCCC/C=C/COC(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
FAAH O00519 5/20 0.52
TERT O14746 3/20 0.52
PTPN1 P18031 3/20 0.52
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
TOP1 P11387 3/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.52
CYP2C19 P33261 2/20 0.52
BLM P54132 2/20 0.52
HSD17B10 Q99714 2/20 0.52
FABP4 P15090 2/20 0.52
KMT2A Q03164 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL8961855 1.00 NAAA (0.55) NAAAFAAHTERTPTPN1PPARG
SCHEMBL8961895 1.00 NAAA (0.55) NAAAFAAHTERTPTPN1PPARG
SCHEMBL8961986 1.00 NAAA (0.55) NAAAFAAHTERTPTPN1PPARG
SCHEMBL5991168 0.98 NAAA (0.52) NAAAFAAHTERTPTPN1PPARG
SCHEMBL5991172 0.98 NAAA (0.52) NAAAFAAHTERTPTPN1PPARG
SCHEMBL8961915 0.92 NAAA (0.48) NAAAFAAHTERTPTPN1PPARG
SCHEMBL22981998 0.89 DGKA (0.56) FAAHTERTPTPN1PPARGPPARD
SCHEMBL2419308 0.89 DGKA (0.56) FAAHTERTPTPN1PPARGPPARD
SCHEMBL25228444 0.89 DGKA (0.56) FAAHTERTPTPN1PPARGPPARD
SCHEMBL69588 0.89 DGKA (0.56) FAAHTERTPTPN1PPARGPPARD

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-0523543-B1 Chiral piperazine derivatives HOFFMANN LA ROCHE (CH) 1996-02-07 EP disclosed
US-5356559-A Optically active piperazinyl derivatives as liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-10-18 US disclosed
EP-0523543-A1 Chiral piperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed