SCHEMBL9727473

SCHEMBL9727473

CCOC(=O)C1CCCCN1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 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
SCHEMBL9727550 0.88 FKBP1A (0.50) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727490 0.87 FKBP1A (0.50) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL9727504 0.85 FKBP1A (0.53) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL8877501 0.84 MDM2 (0.39) KMT2ATSHRMAPK1RECQLKDM4E
SCHEMBL8877150 0.83 POLB (0.39) MEN1KMT2ATSHRMAPK1RECQL
SCHEMBL9536076 0.83 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL9727454 0.83 FKBP1A (0.48) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL8878869 0.82 POLB (0.43) MEN1KMT2ATSHRMAPK1KDM4E
SCHEMBL9727236 0.82 TSHR (0.57) FKBP1AMEN1KMT2ATSHRMAPK1
SCHEMBL8877415 0.81 ALDH1A1 (0.41) MEN1KMT2ATSHRMAPK1RECQL

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