SCHEMBL9645206

SCHEMBL9645206

C=C(C)C(=O)OCCCCCCCCCCCCl

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.38
NAAA Q02083 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 1/20 0.33
ACHE P22303 4/20 0.32
GAA P10253 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
SCHEMBL5710460 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28924377 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3193637 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9136472 0.98 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8651324 0.98 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9001839 0.94 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1931997 0.92 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
Methacrylic Acid SCHEMBL9136483 0.90 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554413 0.89 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22023212 0.89 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1

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
EP-0505406-A1 PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-09-30 EP disclosed
WO-1991009005-A1 PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-06-27 WO disclosed