SCHEMBL9727452

SCHEMBL9727452

CCOC(=O)C1CCCCN1C(=O)C(F)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP13 P45452 1/20 0.48
ADAM17 P78536 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
FKBP1A P62942 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
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
SCHEMBL9727450 0.84 KDM4E (0.48) TSHRMAPK1RECQLMMP1MMP3
SCHEMBL9727391 0.83 MEN1 (0.47) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9741399 0.78 FKBP1A (0.45) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727480 0.78 FKBP1A (0.49) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727217 0.78 ALDH1A1 (0.55) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727578 0.78 TSHR (0.53) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727492 0.77 ALDH1A1 (0.46) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727499 0.76 FKBP1A (0.46) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL13981344 0.75 FKBP1A (0.59) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727268 0.74 MEN1 (0.47) TSHRMAPK1RECQLALDH1A1KDM4E

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