SCHEMBL2557575

SCHEMBL2557575

C=C(C)C(=O)OCCNc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CNR1 P21554 1/20 0.41
MAPT P10636 5/20 0.41
THRB P10828 1/20 0.40
HTT P42858 3/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL13482697 0.86 MAPT (0.48) ALDH1A1GAASMN1; SMN2TDP1MAPT
SCHEMBL22648023 0.85 SMN1; SMN2 (0.45) L3MBTL1GAASMN1; SMN2TDP1MAPT
SCHEMBL305728 0.84 POLB (0.44) ALDH1A1GAASMN1; SMN2TDP1MAPT
SCHEMBL23450582 0.84 THRB (0.42) L3MBTL1ALDH1A1GAASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL11047494 0.83 POLB (0.43) L3MBTL1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL7640048 0.82 MAPT (0.45) ALDH1A1GAASMN1; SMN2TDP1MAPT
SCHEMBL9469435 0.80 ALDH1A1 (0.56) L3MBTL1ALDH1A1GAASMN1; SMN2TDP1
SCHEMBL21246818 0.79 NPC1 (0.56) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
Phosphoric Acid SCHEMBL7716500 0.79 POLB (0.41) ALDH1A1GAASMN1; SMN2TDP1MAPT
SCHEMBL28532159 0.79 PKM (0.48) L3MBTL1GAASMN1; SMN2TDP1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558441-A1 PROCESS FOR PRODUCING ISOCYANATES 3M Innovative Properties Company (US) 2013-02-20 EP disclosed
WO-2011130032-A1 PROCESS FOR PRODUCING ISOCYANATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-10-20 WO disclosed