SCHEMBL9727450

SCHEMBL9727450

CCOC(=O)C1CCCCN1C(=O)C(F)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FKBP1A P62942 4/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 1/20 0.42
KCNK3 O14649 1/20 0.41
XIAP P98170 1/20 0.39
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL9727452 0.84 TSHR (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9727217 0.81 ALDH1A1 (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9727391 0.78 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9727543 0.76 ALDH1A1 (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9727440 0.74 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9741399 0.74 FKBP1A (0.45) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9727492 0.73 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9727480 0.72 FKBP1A (0.49) KDM4EALDH1A1MEN1KMT2AFKBP1A
SCHEMBL5717026 0.72 FKBP1A (0.50) KDM4EALDH1A1MEN1KMT2AFKBP1A
SCHEMBL9727499 0.72 FKBP1A (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; 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