SCHEMBL9727391

SCHEMBL9727391

CCOC(=O)C1CCCCN1C(=O)C(F)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.45
FKBP1A P62942 4/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
OPRL1 P41146 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9727508 0.84 ALDH1A1 (0.45) ALDH1A1OPRL1GAA
SCHEMBL9727217 0.84 ALDH1A1 (0.55) MEN1KMT2AKDM4EALDH1A1FKBP1A
SCHEMBL9727452 0.83 TSHR (0.50) MEN1KMT2AKDM4EALDH1A1FKBP1A
SCHEMBL9741399 0.81 FKBP1A (0.45) MEN1KMT2AKDM4EALDH1A1FKBP1A
SCHEMBL9727630 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL9727492 0.79 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1FKBP1A
SCHEMBL9727450 0.78 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1FKBP1A
SCHEMBL9727578 0.78 TSHR (0.53) MEN1KMT2AKDM4EALDH1A1FKBP1A
SCHEMBL9727455 0.76 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1FKBP1A
SCHEMBL15614467 0.76 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1FKBP1A

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