SCHEMBL4661933

SCHEMBL4661933

C/C(=C/F)Cc1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
FFAR1 O14842 5/20 0.40
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ACACB O00763 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
BRD4 O60885 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
PDE4B Q07343 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 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
SCHEMBL4660537 1.00 PPARD (0.45) PPARDPPARAPPARGFFAR1TLR9
SCHEMBL1294941 0.82 PPARD (0.41) PPARDPPARAPPARGFFAR1TLR9
SCHEMBL1294841 0.82 PPARD (0.41) PPARDPPARAPPARGFFAR1TLR9
SCHEMBL1294843 0.82 PPARD (0.41) PPARDPPARAPPARGFFAR1TLR9
SCHEMBL4661930 0.82 FFAR1 (0.42) PPARDPPARAPPARGFFAR1PDE4B
SCHEMBL12107818 0.80 PPARD (0.41) PPARDPPARAPPARGFFAR1TLR9
SCHEMBL4662015 0.79 PARP15 (0.45) PPARDPPARAPPARGACACB
SCHEMBL18377484 0.79 PPARD (0.43) PPARDPPARAPPARGFFAR1TLR9
SCHEMBL1390774 0.79 PPARD (0.46) PPARDPPARAPPARGFFAR1TLR9
SCHEMBL4660616 0.77 S1PR5 (0.49) PPARDFFAR1FFAR4

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
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP claimed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO claimed