SCHEMBL5809632

SCHEMBL5809632

CCC(=O)NOC(=O)/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
CYP2C19 P33261 1/20 0.49
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL27480171 0.84 GSK3B (0.60) LMNAKMT2AMAPTTDP1MEN1
SCHEMBL29092879 0.82 GLA (0.56) LMNAKMT2AMAPTTDP1MEN1
SCHEMBL28968012 0.82 GLA (0.56) LMNAKMT2AMAPTTDP1MEN1
SCHEMBL10893985 0.82 RAB9A (0.59) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL29138003 0.79 MAPT (0.54) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL27351526 0.79 MAPT (0.54) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL1070871 0.78 GLA (0.55) LMNAKMT2AMAPTTDP1MEN1
SCHEMBL6971897 0.77 TDP1 (0.65) LMNAKMT2AMAPTTDP1MEN1
SCHEMBL27732204 0.77 LMNA (0.56) LMNAKMT2AMAPTTDP1MEN1
SCHEMBL27732203 0.77 LMNA (0.56) LMNAKMT2AMAPTTDP1MEN1

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
WO-2006088348-A1 PROCESS FOR CARRYING OUT A CHEMICAL REACTION WITH IONIC LIQUID AND CARBON DIOXIDE UNDER PRESSURE TECHNISCHE UNIVERSITEIT DELFT (NL) 2006-08-24 WO disclosed