SCHEMBL9727454

SCHEMBL9727454

CCOC(=O)C1CCCCN1C(=O)Cc1cc(C)c(C)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9727490 0.88 FKBP1A (0.50) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727288 0.86 FKBP1A (0.51) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727522 0.86 FKBP1A (0.50) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727473 0.83 FKBP1A (0.47) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9536709 0.83 OPRK1 (0.36) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9727292 0.83 FKBP1A (0.54) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727504 0.81 FKBP1A (0.53) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727550 0.80 FKBP1A (0.50) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727245 0.79 FKBP1A (0.51) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727263 0.79 ALDH1A1 (0.48) FKBP1AMEN1KMT2ATSHRMAPK1

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