SCHEMBL9727211

SCHEMBL9727211

CCOC(=O)C1CCCCN1C(=O)Cc1c(F)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 1/20 0.47
FKBP1A P62942 2/20 0.43
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 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
SCHEMBL9727534 0.94 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9535443 0.86 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9727276 0.82 KMT2A (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9727384 0.82 KMT2A (0.67) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9727440 0.81 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9727478 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2FKBP1ATDP1MAPT
SCHEMBL9741393 0.80 FKBP1A (0.48) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9539291 0.79 KMT2A (0.44) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9727245 0.78 FKBP1A (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9727455 0.78 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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