SCHEMBL9727251

SCHEMBL9727251

CCOC(=O)C1CCCCN1C(=O)C(C)c1ccc(F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 7/20 0.45
TSHR P16473 2/20 0.45
FKBP1A P62942 5/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9727483 0.86 GAA (0.45) ALDH1A1FKBP1AKMT2A
SCHEMBL9727299 0.86 FKBP1A (0.48) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9727313 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9727530 0.81 MEN1 (0.50) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9741399 0.80 FKBP1A (0.45) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9727499 0.80 FKBP1A (0.46) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9727462 0.79 FKBP1A (0.48) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9727480 0.78 FKBP1A (0.49) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL13981344 0.75 FKBP1A (0.59) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9727520 0.75 PEPD (0.44) ALDH1A1FKBP1AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed