SCHEMBL15974698

SCHEMBL15974698

CC(=O)SC(C(=O)O)C(SC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
TP53 P04637 1/20 0.35
CPB2 Q96IY4 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL7263270 0.86 TP53 (0.36) FFAR3LCKFYNTP53TSHR
SCHEMBL7309246 0.86 TP53 (0.36) FFAR3LCKFYNTP53TSHR
SCHEMBL8883435 0.82 TP53 (0.33) TP53TSHR
SCHEMBL15669276 0.79
SCHEMBL6896886 0.79
SCHEMBL668603 0.79
SCHEMBL8692002 0.78 ALDH1A1 (0.37) TP53TSHRALDH1A1
SCHEMBL8883842 0.78 ALDH1A1 (0.37) TP53TSHRALDH1A1
SCHEMBL7304512 0.78 ALDH1A1 (0.37) TP53TSHRALDH1A1
SCHEMBL4457494 0.75 HTT (0.47) FFAR3CPB2ALDH1A1

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
US-20160002067-A1 IMMOBILIZED LIGANDS FOR THE REMOVAL OF METAL IONS AND METHODS THEREOF THE CURATORS OF THE UNIVERSITY OF MISSOURI 2016-01-07 US disclosed
WO-2014130809-A1 IMMOBILIZED LIGANDS FOR THE REMOVAL OF METAL IONS AND METHODS THEREOF THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2014-08-28 WO disclosed