SCHEMBL5616723

SCHEMBL5616723

CC(C)CCCCCc1cccc(OCC[O])c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.48
▸ PPARG P37231 3/20 0.48
▸ FUT7 Q11130 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTGIR P43119 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
SCHEMBL3509565 0.84 PPARA (0.66) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL1204498 0.84 PPARA (0.66) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL11424058 0.82 RARB (0.48) FUT7MAPK1TDP1
SCHEMBL10235891 0.81 CYP2D6 (0.51) PPARAPPARGMAPK1L3MBTL1CNR1
SCHEMBL609944 0.80 TAAR1 (0.47) PPARAPPARGMAPK1L3MBTL1CYP2D6
SCHEMBL4568770 0.78 PPARA (0.51) PPARAPPARGMAPK1L3MBTL1CNR1
SCHEMBL3025796 0.77 PPARA (0.64) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL2207505 0.77 CSF3R (0.48) PPARAPPARGMAPK1L3MBTL1CYP2D6
SCHEMBL17138218 0.77 RARB (0.49) MAPK1L3MBTL1TSHRTDP1
SCHEMBL13072739 0.77 SLC2A1 (0.50) L3MBTL1CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007123846-A2 SYNTHESIS, FUNCTIONALIZATION AND ASSEMBLY OF MONODISPERSE HIGH-COERCIVITY SILICA-CAPPED FEPT NANOMAGNETS OF TUNABLE SIZE, COMPOSITION AND THERMAL STABILITY FROM MICROEMULSIONS RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-11-01 — — WO disclosed
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