SCHEMBL7576585

SCHEMBL7576585

CCCCSCCC[C](CCCC)SC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL11243791 0.78 CES1 (0.38) CES1TSHR
SCHEMBL17359979 0.73 CES1 (0.33) CES1TSHR
SCHEMBL6684781 0.70 CES1 (0.31) CES1
SCHEMBL6684779 0.67 NOS3 (0.39)
SCHEMBL21882 0.67
Propylene Glycol SCHEMBL11473690 0.65 TDP1 (0.50) CES1LMNAHTTRECQLTSHR
SCHEMBL4849581 0.64 TSHR (0.43) CES1LMNATSHR
SCHEMBL747847 0.64 TSHR (0.43) CES1LMNATSHR
SCHEMBL11527395 0.64 TSHR (0.43) CES1LMNATSHR
Iodide SCHEMBL7869089 0.64 TSHR (0.43) CES1LMNATSHR

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-1237879-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP disclosed
WO-2001044204-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed