SCHEMBL10360667

SCHEMBL10360667

CC(Oc1ncn(-c2ccc(OC(F)(F)F)cc2)n1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 2/20 0.38
RXRA P19793 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10360391 0.91 PPARG (0.37) PPARAMAPTTP53SMN1; SMN2PPARG
SCHEMBL10361157 0.86 SLC5A1 (0.44) PPARAMAPTSMN1; SMN2PPARGRXRA
SCHEMBL10360378 0.85 PPARD (0.44) PPARDPPARAMAPTPPARGKDM4E
SCHEMBL10360298 0.85 MAPT (0.42) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL10360399 0.82 MAPT (0.44) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL10361312 0.82 MAPT (0.56) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL10360706 0.81 MAPT (0.43) MAPTSMN1; SMN2KDM4EALDH1A1CYP2C9
SCHEMBL10360696 0.81 MAPT (0.43) MAPTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL18586496 0.78 RXRA (0.43) MAPTSMN1; SMN2RXRAGRIN1GRIN2B
SCHEMBL10719033 0.77 MAPT (0.45) PPARDPPARAMAPTRXRAGRIN1

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-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US disclosed