SCHEMBL28008262

SCHEMBL28008262

CCCCOC(=O)CC(OCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3821109 0.86 FFAR1 (0.51) FFAR1TSHRNPC1MEN1KMT2A
SCHEMBL23191566 0.83 TSHR (0.53) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL9467365 0.82 ALDH1A1 (0.54) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL28008704 0.81 FFAR1 (0.53) FFAR1L3MBTL1ALDH1A1MAPK1
SCHEMBL27461469 0.81 SMN1; SMN2 (0.58) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL28008254 0.80 FFAR1 (0.50) FFAR1KMT2AALDH1A1
SCHEMBL27423665 0.80 TSHR (0.40) FFAR1TSHRTDP1L3MBTL1NPC1
SCHEMBL2004604 0.79 TSHR (0.49) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL5720836 0.79 TSHR (0.49) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL27943120 0.79 TSHR (0.49) TSHRTDP1L3MBTL1NPC1RAB9A

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
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed