SCHEMBL9727268

SCHEMBL9727268

CCOC(=O)C1CCCCN1C(=O)C(Cl)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FKBP1A P62942 4/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
KCNK3 O14649 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL13468136 0.79 ALDH1A1 (0.60) MEN1KMT2AFKBP1AALDH1A1SMN1; SMN2
SCHEMBL9727578 0.78 TSHR (0.53) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL9727480 0.77 FKBP1A (0.49) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL9741399 0.74 FKBP1A (0.45) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL9727543 0.74 ALDH1A1 (0.55) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL9727499 0.74 FKBP1A (0.46) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL9727452 0.74 TSHR (0.50) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL13981344 0.74 FKBP1A (0.59) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL9727462 0.73 FKBP1A (0.48) MEN1KMT2AFKBP1AALDH1A1KDM4E
SCHEMBL9727391 0.72 MEN1 (0.47) MEN1KMT2AFKBP1AALDH1A1KDM4E

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