SCHEMBL4231063

SCHEMBL4231063

CCCCC[S+](CC)CC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 3/20 0.38
SLC22A1 O15245 3/20 0.35
SLC22A2 O15244 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DNM1 Q05193 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29441396 0.97 TSHR (0.50) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL4239091 0.97 TSHR (0.50) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL4235319 0.97 TSHR (0.50) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL9318550 0.97 TSHR (0.50) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL4230550 0.97 TSHR (0.50) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL4233902 0.97 TSHR (0.50) TSHRTHRBLMNASLC22A1DNM1
Water SCHEMBL9247926 0.94 TSHR (0.47) TSHRTHRBLMNASLC22A1DNM1
Hydrochloric Acid SCHEMBL29576262 0.94 TSHR (0.47) TSHRTHRBLMNASLC22A1DNM1
Hydrochloric Acid SCHEMBL9344378 0.94 TSHR (0.47) TSHRTHRBLMNASLC22A1DNM1
Hydrochloric Acid SCHEMBL29441392 0.94 TSHR (0.47) TSHRTHRBLMNASLC22A1DNM1

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-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed