SCHEMBL9023985

SCHEMBL9023985

O=C(O)COc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.47
PPARD Q03181 5/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
PTPN1 P18031 5/20 0.42
PTPN2 P17706 3/20 0.42
PTPN6 P29350 3/20 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
SCHEMBL9024894 0.83 PPARG (0.43) PPARDPPARASMN1; SMN2PTPN1
SCHEMBL3278789 0.78 ALDH1A1 (0.33) PTPN1
SCHEMBL7776062 0.76 L3MBTL1 (0.39) SMN1; SMN2
SCHEMBL324953 0.75 TDP1 (0.49) PTGDR2TSHR
SCHEMBL159309 0.74 MRGPRX4 (0.43) PTPN1PTPN2PTPN6
SCHEMBL2111994 0.74 PPARD (0.68) PTGDR2PPARDPPARASMN1; SMN2PTPN1
SCHEMBL17046319 0.73 CYP1A1 (0.38) PTGDR2
SCHEMBL15010621 0.72 HTT (0.42) PPARDPPARASMN1; SMN2TSHR
SCHEMBL21268265 0.72 PTGDR2 (0.38) PTGDR2PPARDPPARASMN1; SMN2
SCHEMBL9025106 0.71 ALDH1A1 (0.46) SMN1; SMN2TSHR

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-0398179-B1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO (JP) 1996-01-17 EP disclosed
US-5116855-A Aldose reductase inhibitors; antidiabetic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-05-26 US disclosed
EP-0398179-A1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-11-22 EP disclosed