SCHEMBL8961885

SCHEMBL8961885

C[CH]C(=O)OC/C=C/CCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
PPARG P37231 4/20 0.47
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
TOP1 P11387 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
KMT2A Q03164 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8961891 0.98 FAAH (0.50) FAAHPPARGTERTPTPN1PPARD
SCHEMBL8961979 0.98 FAAH (0.50) FAAHPPARGTERTPTPN1PPARD
SCHEMBL8961848 0.98 FAAH (0.50) FAAHPPARGTERTPTPN1PPARD
SCHEMBL8961924 0.98 FAAH (0.50) FAAHPPARGTERTPTPN1PPARD
SCHEMBL8961912 0.94 F7 (0.44) FAAHPPARGTERTPTPN1PPARD
SCHEMBL4651888 0.87 ATM (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL4653014 0.87 ATM (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL4651891 0.87 ATM (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL4651883 0.87 ATM (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL4653011 0.87 ATM (0.53) FAAHPPARGTERTPTPN1PPARD

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