SCHEMBL12467458

SCHEMBL12467458

CCC(C)c1sc(C(C)C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ TLR8 Q9NR97 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ TRPA1 O75762 2/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ GPR3 P46089 1/20 0.30

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
SCHEMBL14063283 0.85 GPR3 (0.39) TSHRTLR8TLR7CYP2D6GPR84
SCHEMBL20665036 0.76 CNR2 (0.33) CYP2D6GPR3
SCHEMBL12386887 0.71 TSHR (0.38) TSHRTLR8TLR7CHRNB2CHRNA7
SCHEMBL13520203 0.71 ALOX5 (0.51) GPR3
SCHEMBL12263320 0.68 PTPN1 (0.40) TLR8TLR7GPR3
SCHEMBL20033621 0.68 TLR7 (0.41) TSHRTLR8TLR7CHRNB2CHRNA7
SCHEMBL20154912 0.65 GPR3 (0.41) TSHRCYP2D6GPR3
SCHEMBL10080195 0.65 — —
SCHEMBL994607 0.63 TSHR (0.73) TSHRTRPA1
SCHEMBL20930883 0.63 TSHR (0.47) TSHRTLR8TLR7CHRNB2CHRNA7

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-20110183110-A1 Optical film, antireflection film, polarizing plate and image display apparatus FUJIFILM CORPORATION (JP) 2011-07-28 — — US disclosed
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