SCHEMBL7923490

SCHEMBL7923490

CCCCc1ccccc1C(C)S

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.44
CYSLTR1 Q9Y271 9/20 0.44
LIPG Q9Y5X9 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TLR8 Q9NR97 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TYR P14679 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
SCHEMBL9621646 0.84 CYSLTR2 (0.46) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL30436245 0.84 CYSLTR2 (0.46) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL5665256 0.84 CYSLTR2 (0.46) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL28594394 0.83 CYSLTR2 (0.37) CYSLTR2CYSLTR1LIPG
SCHEMBL16155004 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL10979504 0.81 TSHR (0.52) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL5932304 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL10513059 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
Hydrogen Peroxide SCHEMBL2318664 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL18946175 0.79 GABRA1 (0.39) CYP3A4CYP2D6

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
US-6225370-B1 FOR USE WITH INK JET PRINTERS LEXMARK INTERNATIONAL, INC. 2001-05-01 US claimed
US-6225370-B1 FOR USE WITH INK JET PRINTERS LEXMARK INTERNATIONAL, INC. 2001-05-01 US disclosed