SCHEMBL9727492

SCHEMBL9727492

CCOC(=O)C1CCCCN1C(=O)C(F)c1ccc(CC)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 7/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FKBP1A P62942 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9741399 0.83 FKBP1A (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL9727391 0.79 MEN1 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL9727217 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL9727452 0.77 TSHR (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL13981344 0.75 FKBP1A (0.59) ALDH1A1KDM4ETSHRFKBP1AMEN1
SCHEMBL9727251 0.74 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL9727450 0.73 KDM4E (0.48) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL9727484 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL9727299 0.72 FKBP1A (0.48) ALDH1A1KDM4ETSHRSMN1; SMN2FKBP1A
SCHEMBL17208363 0.71 FKBP1A (0.53) ALDH1A1KDM4EFKBP1ALMNAHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed