SCHEMBL9727484

SCHEMBL9727484

CCOC(=O)C1CCCCN1C(=O)Cc1c(F)cc(CC)cc1CC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 6/20 0.47
TSHR P16473 2/20 0.47
FKBP1A P62942 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9741393 0.83 FKBP1A (0.48) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL9727245 0.81 FKBP1A (0.51) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL9727504 0.79 FKBP1A (0.53) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL9727522 0.79 FKBP1A (0.50) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL13168009 0.78 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL3606253 0.78 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL9727292 0.78 FKBP1A (0.54) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL9727211 0.78 KDM4E (0.51) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL9727384 0.77 KMT2A (0.67) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL9727445 0.77 TSHR (0.55) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2

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-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed