SCHEMBL9727462

SCHEMBL9727462

CCOC(=O)C1CCCCN1C(=O)C(C)c1cc(C)c(C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
FKBP5 Q13451 1/20 0.41
LMNA P02545 1/20 0.41
ACE P12821 1/20 0.41
KCNK3 O14649 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9727499 0.89 FKBP1A (0.46) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL9727530 0.85 MEN1 (0.50) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL9727480 0.85 FKBP1A (0.49) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL9727299 0.84 FKBP1A (0.48) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL9727313 0.80 ALDH1A1 (0.48) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL13981344 0.80 FKBP1A (0.59) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL9727251 0.79 ALDH1A1 (0.45) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL8403345 0.79 L3MBTL1 (0.44) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL9727522 0.76 FKBP1A (0.50) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL17208363 0.76 FKBP1A (0.53) FKBP1AALDH1A1KDM4ELMNAACE

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