SCHEMBL9727263

SCHEMBL9727263

CCOC(=O)C1CCCCN1C(=O)Cc1cccc(C)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 7/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
FKBP1A P62942 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9535882 0.84 HPGD (0.41) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL9727455 0.83 KMT2A (0.55) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727572 0.82 KMT2A (0.49) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727490 0.81 FKBP1A (0.50) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727236 0.80 TSHR (0.57) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727473 0.80 FKBP1A (0.47) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727384 0.79 KMT2A (0.67) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727445 0.79 TSHR (0.55) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727454 0.79 FKBP1A (0.48) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL9727550 0.77 FKBP1A (0.50) ALDH1A1KDM4ETSHRMAPK1RECQL

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