SCHEMBL9727303

SCHEMBL9727303

CCOC(=O)C1CCCCN1C(=O)Cc1c(C)cc(C)c(Br)c1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
FKBP1A P62942 6/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 7/20 0.44
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL9727288 0.90 FKBP1A (0.51) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9727522 0.88 FKBP1A (0.50) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9727504 0.85 FKBP1A (0.53) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9535123 0.84 TSHR (0.37) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9727245 0.83 FKBP1A (0.51) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9727292 0.82 FKBP1A (0.54) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9727238 0.82 FKBP1A (0.56) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9727490 0.81 FKBP1A (0.50) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9741393 0.80 FKBP1A (0.48) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL9727276 0.79 KMT2A (0.53) ALDH1A1FKBP1AMEN1KMT2AKDM4E

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