SCHEMBL7269308

SCHEMBL7269308

CC(C)COC(=O)CO[N]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32

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
SCHEMBL4763305 0.79 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL2554577 0.79 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL14039046 0.77 TSHR (0.46) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL15998203 0.77 TSHR (0.46) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL17041841 0.77 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL7269313 0.77 TSHR (0.46) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL10141959 0.77 TSHR (0.46) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL8862687 0.76 TDP1 (0.49) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL2530416 0.76 TSHR (0.42) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL16996644 0.76 TDP1 (0.49) TSHRTDP1L3MBTL1ALDH1A1PPARG

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
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed