SCHEMBL8961912

SCHEMBL8961912

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
FAAH O00519 4/20 0.41
TERT O14746 3/20 0.40
PTPN1 P18031 3/20 0.40
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
BLM P54132 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FABP4 P15090 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40
TOP1 P11387 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8961885 0.94 FAAH (0.47) F7F3FAAHTERTPTPN1
SCHEMBL8961891 0.93 FAAH (0.50) F7F3FAAHTERTPTPN1
SCHEMBL8961979 0.93 FAAH (0.50) F7F3FAAHTERTPTPN1
SCHEMBL8961924 0.93 FAAH (0.50) F7F3FAAHTERTPTPN1
SCHEMBL8961848 0.93 FAAH (0.50) F7F3FAAHTERTPTPN1
SCHEMBL8961953 0.88 HCAR2 (0.35) FAAHMAPTATMPTGS1
SCHEMBL4772460 0.83 TSHR (0.58) F7F3FAAHTERTPTPN1
SCHEMBL869635 0.82 F7 (0.48) F7F3FAAHTERTPTPN1
SCHEMBL869633 0.82 F7 (0.48) F7F3FAAHTERTPTPN1
SCHEMBL4651888 0.81 ATM (0.53) F7F3FAAHTERTPTPN1

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