SCHEMBL28286804

SCHEMBL28286804

O=C(OC(=O)C(F)(F)F)c1ccccc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
LMNA P02545 2/20 0.50
F2 P00734 1/20 0.50
TSHR P16473 4/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL271808 0.98 CES1 (0.54) CES1LMNAF2TSHRMAPK1
SCHEMBL28093052 0.87 CES1 (0.38) CES1LMNAF2TSHRMAPK1
SCHEMBL27658519 0.87 PDCD1 (0.50) CES1LMNAF2MAPTNPC1
SCHEMBL8370038 0.84 TSHR (0.48) CES1TSHRALDH1A1HSD17B10TP53
SCHEMBL6300562 0.83 KMO (0.51) CES1TDP1MAPTNPC1RAB9A
Benzil SCHEMBL27543344 0.82 CES2 (0.58) CES1LMNAF2TSHRALDH1A1
SCHEMBL2591454 0.80 LMNA (0.67) CES1LMNAF2TSHRMAPK1
SCHEMBL431406 0.80 LMNA (0.67) CES1LMNAF2TSHRMAPK1
SCHEMBL1472953 0.80 LMNA (0.68) CES1LMNAF2TSHRMAPK1
SCHEMBL28370746 0.79 TSHR (0.42) CES1LMNATSHRMAPK1TDP1

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
CN-109475491-A Palpable marker compositions 丹麦技术大学 2019-03-15 CN disclosed