SCHEMBL20175325

SCHEMBL20175325

COc1ccc(COC(=O)CCCCC(=O)COc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.56
FFAR1 O14842 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
F2RL1 P55085 1/20 0.44

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
SCHEMBL20175326 0.89 MAOB (0.48) PLA2G4BALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL18381104 0.88 ALDH1A1 (0.54) FFAR1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL18381100 0.87 ALDH1A1 (0.53) FFAR1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL18782519 0.85 ALDH1A1 (0.54) FFAR1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL10687182 0.82 FFAR1 (0.50) FFAR1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL8084703 0.82 CNR1 (0.50) FFAR1ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL21677866 0.82 ALDH1A1 (0.54) FFAR1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL3732372 0.82 ALDH1A1 (0.59) FFAR1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL4205589 0.81 CNR1 (0.52) ALDH1A1MAPK1L3MBTL1
SCHEMBL4214982 0.81 CNR1 (0.52) ALDH1A1MAPK1L3MBTL1

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
US-20180143548-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2018-05-24 US disclosed
US-20180143548-A1 COLD PRESSURE FIX TONER COMPOSITIONS BASED ON SMALL MOLECULE CRYSTALLINE AND AMORPHOUS ORGANIC COMPOUND MIXTURES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2018-05-24 US disclosed