SCHEMBL17479250

SCHEMBL17479250

C#CC(C#C)(C#C)CCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
CES2 O00748 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
GGPS1 O95749 6/20 0.38
FDPS P14324 9/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMPD1 P17405 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL16541722 0.80 CES2 (0.42) TSHRTHRBCES2LPAR1LPAR3
SCHEMBL5806390 0.75 FDPS (0.43) TSHRTHRBCES2GGPS1FDPS
SCHEMBL8922491 0.74 TSHR (0.35) TSHRTHRBCES2LPAR1LPAR3
SCHEMBL23700072 0.74 TSHR (0.42) TSHRTHRBCES2LPAR1LPAR3
SCHEMBL23700088 0.74 TSHR (0.42) TSHRTHRBCES2LPAR1LPAR3
SCHEMBL23700067 0.74 TSHR (0.42) TSHRTHRBCES2LPAR1LPAR3
SCHEMBL16672477 0.74 TSHR (0.42) TSHRTHRBCES2LPAR1LPAR3
SCHEMBL11866694 0.73 FDPS (0.42) CES2LPAR1LPAR3GGPS1FDPS
SCHEMBL5455594 0.73 FDPS (0.42) CES2LPAR1LPAR3GGPS1FDPS
SCHEMBL1016952 0.73 FDPS (0.42) CES2LPAR1LPAR3GGPS1FDPS

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-2016018148-A1 BIOSENSOR COMPRISING A MODIFIED METAL SURFACE AND METHOD FOR THE MODIFICATION OF A METAL SURFACE BIOMARQUE B.V. (NL) 2016-02-04 WO disclosed