SCHEMBL8953483

SCHEMBL8953483

O=C(OC(Cc1ccccc1F)C(=O)O)C(O)Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.56
PPARA Q07869 9/20 0.56
ACE P12821 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.38
SRR Q9GZT4 1/20 0.37
CXCL8 P10145 1/20 0.37

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
SCHEMBL8468365 0.84 AKR1B1 (0.43) PPARGPPARAACESMN1; SMN2SRR
SCHEMBL30759409 0.81 PPARG (0.51) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL10170670 0.81 PPARG (0.51) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3351318 0.81 PPARG (0.51) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1822200 0.81 PPARG (0.51) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8953481 0.81 PPARG (0.51) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8953568 0.80 CYP1A2 (0.45) PPARGPPARAALDH1A1KMT2A
SCHEMBL28019866 0.77 ALDH1A1 (0.49) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28019865 0.77 ALDH1A1 (0.49) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28020287 0.77 ALDH1A1 (0.49) PPARGPPARASMN1; SMN2ALDH1A1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed