SCHEMBL9856607

SCHEMBL9856607

CCC(C)Oc1ccc(OCCOC(=S)NC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.42
GAA P10253 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9856148 0.87 L3MBTL1 (0.42) ACACBHRH3ALDH1A1KDM4EL3MBTL1
SCHEMBL9856572 0.83 ACACB (0.47) ACACBGAAHRH3SMN1; SMN2MAPT
SCHEMBL9856665 0.77 ACACB (0.49) ACACBHRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9856137 0.77 ALDH1A1 (0.41) ACACBALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL9856371 0.76 ACACB (0.45) ACACBALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL9856151 0.76 ACACB (0.45) ACACBALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL9856638 0.76 ACACB (0.45) ACACBALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL9856429 0.74 ALDH1A1 (0.43) ACACBGAAALDH1A1KDM4EL3MBTL1
SCHEMBL9856414 0.74 NR1I2 (0.53) ACACBGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL9274036 0.74 NR1I2 (0.53) ACACBGAAALDH1A1SMN1; SMN2MAPT

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US claimed