SCHEMBL4058053

SCHEMBL4058053

CC(=O)c1ccc(CCO)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
RECQL P46063 2/20 0.60
PRNP P04156 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
HPGD P15428 5/20 0.55
GSK3B P49841 1/20 0.48
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 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
SCHEMBL3199622 0.84 ALDH1A1 (0.60) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL5351604 0.83 ALDH1A1 (0.54) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL10639931 0.82 ALDH1A1 (0.63) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL6894878 0.82 DAO (0.47) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL3186013 0.81 ALDH1A1 (0.66) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL1368290 0.79 NPSR1 (0.50) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL10636804 0.79 LMNA (0.55) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL3193059 0.79 ALDH1A1 (0.69) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL1798146 0.79 ALDH1A1 (0.56) ALDH1A1LMNARECQLPRNPRXFP1
SCHEMBL7082086 0.78 LMNA (0.58) ALDH1A1LMNARECQLPRNPRXFP1

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
WO-2009115644-A1 LANTHANIDE(III) CHELATES COMPRISING BETA-DIKETONES AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-09-24 WO disclosed
WO-2009115644-A1 LANTHANIDE(III) CHELATES COMPRISING BETA-DIKETONES AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-09-24 WO disclosed