SCHEMBL9727578

SCHEMBL9727578

CCOC(=O)C1CCCCN1C(=O)C(Cl)c1cc(Cl)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.45
FKBP1A P62942 3/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 2/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41
FDFT1 P37268 1/20 0.41

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
SCHEMBL9727329 0.85 ALDH1A1 (0.52) TSHRMEN1KMT2AALDH1A1FKBP1A
SCHEMBL9727543 0.81 ALDH1A1 (0.55) TSHRMAPK1RECQLMEN1KMT2A
SCHEMBL9727391 0.78 MEN1 (0.47) TSHRMAPK1RECQLMEN1KMT2A
SCHEMBL9727268 0.78 MEN1 (0.47) TSHRMAPK1RECQLMEN1KMT2A
SCHEMBL9727452 0.78 TSHR (0.50) TSHRMAPK1RECQLMEN1KMT2A
SCHEMBL9727236 0.77 TSHR (0.57) TSHRMAPK1RECQLMEN1KMT2A
SCHEMBL9727475 0.76 ALDH1A1 (0.52) TSHRMEN1KMT2AALDH1A1FKBP1A
SCHEMBL9727217 0.73 ALDH1A1 (0.55) TSHRMAPK1RECQLMEN1KMT2A
SCHEMBL9727251 0.73 ALDH1A1 (0.45) TSHRMAPK1RECQLMEN1KMT2A
SCHEMBL9727445 0.73 TSHR (0.55) TSHRMAPK1RECQLMEN1KMT2A

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 2 patents. 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
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed