SCHEMBL28385338

SCHEMBL28385338

C#CC([Na])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MIF P14174 2/20 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
SCHEMBL2106150 0.78 TSHR (0.41) DPP4TSHRF2TRPA1HTR2A
SCHEMBL11663962 0.72 DPP4 (0.41) DPP4TSHRF2TRPA1HTR2A
SCHEMBL11408107 0.72 IDO1 (0.36) DPP4TSHRF2TRPA1HTR2A
SCHEMBL6069562 0.72 CHRNB2 (0.41) DPP4TSHRF2TRPA1TAAR1
SCHEMBL29076099 0.69 MIF (0.33) DPP4TSHRF2TRPA1HTR2A
SCHEMBL6244471 0.68 TSHR (0.50) DPP4TSHRF2TRPA1HTR2A
SCHEMBL77244 0.68 TSHR (0.58) TSHRCYP2D6SRC
SCHEMBL4184813 0.68 TRPA1 (0.58) DPP4TSHRF2TRPA1HTR2A
SCHEMBL1036595 0.68 DPP4 (0.50) DPP4F2HTR2ATAAR1
SCHEMBL235417 0.68 TSHR (0.58) TSHRCYP2D6SRC

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
CN-110927141-A Temperature-sensitive intelligent response SERS substrate and preparation method and application thereof 辽宁大学 2020-03-27 — — CN disclosed
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