SCHEMBL9727445

SCHEMBL9727445

CCOC(=O)C1CCCCN1C(=O)Cc1ccc(Cl)cc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CXCR3 P49682 1/20 0.45
FKBP1A P62942 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR3 P51677 1/20 0.42
POLB P06746 1/20 0.42
F2 P00734 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
SCHEMBL9727236 0.89 TSHR (0.57) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727440 0.82 KDM4E (0.49) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727384 0.81 KMT2A (0.67) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727473 0.81 FKBP1A (0.47) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727455 0.79 KMT2A (0.55) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727276 0.79 KMT2A (0.53) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727490 0.79 FKBP1A (0.50) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727263 0.79 ALDH1A1 (0.48) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727572 0.78 KMT2A (0.49) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL9727550 0.78 FKBP1A (0.50) 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