SCHEMBL9727245

SCHEMBL9727245

CCOC(=O)C1CCCCN1C(=O)Cc1c(C)cc(F)cc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL9727504 0.91 FKBP1A (0.53) FKBP1AALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9741393 0.88 FKBP1A (0.48) FKBP1AALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9727238 0.87 FKBP1A (0.56) FKBP1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL9727288 0.86 FKBP1A (0.51) FKBP1AALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9727472 0.86 ALDH1A1 (0.47) FKBP1AALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL9727522 0.86 FKBP1A (0.50) FKBP1AALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9727303 0.83 ALDH1A1 (0.48) FKBP1AALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9538662 0.83 SMN1; SMN2 (0.41) FKBP1AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9727292 0.83 FKBP1A (0.54) FKBP1AALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9727484 0.81 ALDH1A1 (0.47) FKBP1AALDH1A1KDM4ETSHRSMN1; 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 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