SCHEMBL8867136

SCHEMBL8867136

CCCOC(=O)Nc1ccc(CCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.61
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 3/20 0.61
HPGD P15428 6/20 0.55
TP53 P04637 2/20 0.55
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RECQL P46063 1/20 0.51
CASP1 P29466 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MCL1 Q07820 1/20 0.51
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL8866630 0.91 RAB9A (0.63) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL13387551 0.90 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL8867130 0.88 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL1903659 0.87 CYP4F2 (0.58) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL7562459 0.87 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL1021995 0.85 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL7472487 0.85 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9211588 0.84 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL8000487 0.82 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL27110837 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPK1HPGDTP53

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed