SCHEMBL16433641

SCHEMBL16433641

Cc1ccc(F)c(C2(C)OCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
APP P05067 1/20 0.33
PABPC1 P11940 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ICMT O60725 1/20 0.32

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
SCHEMBL6498398 0.79 MAPT (0.35) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL12069439 0.79 SMN1; SMN2 (0.45) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL10107293 0.77 TDP2 (0.40) ALDH1A1LMNABACE1BACE2KMT2A
SCHEMBL6290584 0.77 KMT2A (0.38) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL4482310 0.75 HCAR2 (0.38) ALDH1A1SMN1; SMN2BACE1BACE2
SCHEMBL2601632 0.72 BACE1 (0.42) ALDH1A1LMNASMN1; SMN2BACE1KMT2A
SCHEMBL19507134 0.70 SMN1; SMN2 (0.44) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL6293971 0.70 ALDH1A1 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL5880790 0.69 KDM1A (0.35) ALDH1A1LMNASMN1; SMN2BACE1KMT2A
SCHEMBL5635402 0.69 KMT2A (0.41) LMNAMAPTSMN1; SMN2KMT2AMEN1

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-RE45364-E1 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2015-02-03 US disclosed