SCHEMBL6435429

SCHEMBL6435429

CCCCCCCCCCCCCCCCC[CH]SC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL131903 0.83
SCHEMBL5077130 0.82 TSHR (0.42) TSHRFAAHTRPV1THRBDNM1
SCHEMBL9109797 0.82 TSHR (0.42) TSHRFAAHTRPV1THRBDNM1
SCHEMBL3398532 0.70 TSHR (0.39) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200934 0.69
SCHEMBL200480 0.69 TSHR (0.48) TSHRFAAHTRPV1THRBDNM1
SCHEMBL198829 0.69 TSHR (0.48) TSHRFAAHTRPV1THRBDNM1
SCHEMBL199242 0.69 TSHR (0.48) TSHRFAAHTRPV1THRBDNM1
SCHEMBL198695 0.69 TSHR (0.48) TSHRFAAHTRPV1THRBDNM1
SCHEMBL387241 0.69 TSHR (0.48) TSHRFAAHTRPV1THRBDNM1

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-20050137310-A1 Polymer nanocomposites and methods for their preparation CITIBANK, N.A., AS COLLATERAL AGENT 2005-06-23 US disclosed