SCHEMBL7776302

SCHEMBL7776302

CCCC/C=C\CC([O])=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.52
F3 P13726 2/20 0.52
PPARG P37231 5/20 0.47
PPARD Q03181 4/20 0.47
PPARA Q07869 4/20 0.47
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
MAPT P10636 3/20 0.47
BLM P54132 3/20 0.47
HSD17B10 Q99714 3/20 0.47
FABP4 P15090 3/20 0.47
KMT2A Q03164 3/20 0.47
TOP1 P11387 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
FAAH O00519 2/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 2/20 0.47
RECQL P46063 2/20 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
SCHEMBL7782865 0.93 FAAH (0.55) F7F3PPARGPPARDPPARA
SCHEMBL7781595 0.91 FAAH (0.59) F7F3PPARGPPARDPPARA
SCHEMBL10011461 0.91 FAAH (0.59) F7F3PPARGPPARDPPARA
SCHEMBL8748723 0.91 FAAH (0.59) F7F3PPARGPPARDPPARA
SCHEMBL10011458 0.91 FAAH (0.59) F7F3PPARGPPARDPPARA
SCHEMBL10012379 0.91 FAAH (0.59) F7F3PPARGPPARDPPARA
SCHEMBL10012382 0.91 FAAH (0.59) F7F3PPARGPPARDPPARA
SCHEMBL8748338 0.91 FAAH (0.59) F7F3PPARGPPARDPPARA
SCHEMBL6718036 0.85
SCHEMBL6718044 0.85

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-1137737-A1 LIQUID CRYSTAL COMPOUND Rolic AG (CH) 2001-10-04 EP disclosed
WO-2000031211-A1 LIQUID CRYSTAL COMPOUND ROLIC AG (CH) 2000-06-02 WO disclosed
EP-0754685-A2 Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings Rolic AG (CH) 1997-01-22 EP disclosed