SCHEMBL8922491

SCHEMBL8922491

C#CC(C)(C)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 11/20 0.33
GGPS1 O95749 7/20 0.33
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4533967 0.92
SCHEMBL4526390 0.80
SCHEMBL1056747 0.75 FDPS (0.40) FDPSGGPS1CES2LPAR1LPAR3
SCHEMBL8960837 0.75
SCHEMBL5964038 0.75 FDPS (0.39) TSHRTHRBFDPSGGPS1CES2
SCHEMBL5801235 0.75 FDPS (0.40) FDPSGGPS1CES2LPAR1LPAR3
SCHEMBL17479250 0.74 TSHR (0.42) TSHRTHRBFDPSGGPS1CES2
SCHEMBL8387881 0.74
SCHEMBL10916892 0.74 TSHR (0.38) TSHRTHRBFDPSGGPS1CES2
SCHEMBL424188 0.74 FDPS (0.38) FDPSGGPS1CES2LPAR1LPAR3

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
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US claimed