SCHEMBL8873022

SCHEMBL8873022

[CH]c1cccc(OC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
CYP3A4 P08684 1/20 0.63
ACHE P22303 2/20 0.58
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAPDH P04406 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA2A P29274 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ELANE P08246 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL249305 0.85 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL17028900 0.85 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL28032593 0.82 LMNA (0.66) LMNACYP3A4ACHEKMT2AMEN1
Ethylene SCHEMBL28866733 0.81 LMNA (0.70) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL13930374 0.79 LMNA (0.68) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL9512129 0.79 MAPT (0.50) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL4446422 0.78 MAPT (0.67) LMNACYP3A4ACHEALDH1A1MAPT
SCHEMBL361383 0.78 LMNA (0.66) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL9769390 0.78 LMNA (0.66) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL280618 0.78 LMNA (1.00) LMNACYP3A4ACHEKMT2AMEN1

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-5625077-A 1,2-dioxetanes TROPIX, INC. (US) 1997-04-29 US disclosed