SCHEMBL6549396

SCHEMBL6549396

C=CCOC(=O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CA1 P00915 10/20 0.40
CA2 P00918 10/20 0.40
TDP1 Q9NUW8 3/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ALOX15 P16050 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16264823 1.00 TSHR (0.42) TSHRCA1CA2TDP1EYA2
SCHEMBL16264827 0.92 TSHR (0.47) TSHRCA1CA2TDP1APP
Ammonia Solution, Strong SCHEMBL10641079 0.91 TDP1 (0.50) TSHRCA1CA2TDP1EYA2
SCHEMBL3999882 0.82 TSHR (0.43) TSHRTDP1PKMSMN1; SMN2KDM4E
SCHEMBL9683567 0.80 TSHR (0.50) TSHRCA1CA2TDP1PKM
SCHEMBL8824143 0.78 TSHR (0.41) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL547608 0.77 TSHR (0.40) TSHRCA1CA2TDP1PKM
SCHEMBL170670 0.77 TSHR (0.46) TSHRTDP1APPPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL1682921 0.76 TSHR (0.39) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL251333 0.75 TSHR (0.48) TSHRCA1CA2TDP1PKM

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-1119601-B1 LIQUID DETERGENT KAO CORP (JP) 2004-01-28 EP disclosed
US-6387867-B1 REMOVING OILS; COSMETIC CLEANING COMPOUND KAO CORPORATION (JP) 2002-05-14 US disclosed