SCHEMBL11276134

SCHEMBL11276134

COc1ccc(COC(=O)CCc2cc[c]cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 2/20 0.53
F2RL1 P55085 1/20 0.53
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL305162 0.85 MAPT (0.68) FFAR1MAPTL3MBTL1LMNAF2RL1
SCHEMBL26023562 0.85 MAPT (0.68) FFAR1MAPTL3MBTL1LMNAF2RL1
SCHEMBL3732372 0.83 ALDH1A1 (0.59) FFAR1MAPTL3MBTL1LMNAF2RL1
SCHEMBL15164337 0.82 ALOX5 (0.60) FFAR1MAPTL3MBTL1LMNAF2RL1
SCHEMBL11286167 0.82 TDP1 (0.64) FFAR1MAPTL3MBTL1LMNAALDH1A1
SCHEMBL7716142 0.80 SMN1; SMN2 (0.51) FFAR1MAPTL3MBTL1LMNAALDH1A1
SCHEMBL18782519 0.80 ALDH1A1 (0.54) FFAR1MAPTL3MBTL1LMNAF2RL1
SCHEMBL18381104 0.80 ALDH1A1 (0.54) FFAR1L3MBTL1LMNAF2RL1ALDH1A1
SCHEMBL3735867 0.79 APP (0.62) FFAR1MAPTL3MBTL1LMNAF2RL1
SCHEMBL24387813 0.79 ALDH1A1 (0.60) FFAR1MAPTL3MBTL1LMNAF2RL1

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
US-4348410-A Cyclohexane carboxylic acid derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1982-09-07 US disclosed