SCHEMBL14101160

SCHEMBL14101160

O=C(OCc1ccccc1)C(O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PTPN1 P18031 3/20 0.50
PTPRC P08575 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 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
SCHEMBL6925841 0.82 TSHR (0.63) MAPK1TSHRLMNA
SCHEMBL24142683 0.81 KMT2A (0.56) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL19795773 0.80 KMT2A (0.59) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL19695641 0.80 KMT2A (0.54) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL3296385 0.79 ALDH1A1 (0.57) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL16626106 0.79 PTPN1 (0.51) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL14783691 0.79 KMT2A (0.57) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL14855865 0.79 KMT2A (0.57) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL2241428 0.79 KMT2A (0.57) KMT2AMEN1PTPN1PTPRCALDH1A1
SCHEMBL543540 0.78 ALDH1A1 (0.55) KMT2AMEN1PTPN1PTPRCALDH1A1

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-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 US disclosed