Ethyne

Ethyne

SCHEMBL28045746

C#C.CCc1ccccc1-c1ccccc1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
KMT2A Q03164 1/20 0.52
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FOLH1 Q04609 1/20 0.44
TRPA1 O75762 1/20 0.44
PTGS2 P35354 1/20 0.41
HTR7 P34969 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40

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
SCHEMBL328862 0.95 DPP4 (0.60) DPP4KMT2APDCD1CD274PPARG
SCHEMBL31261742 0.95 DPP4 (0.60) DPP4KMT2APDCD1CD274PPARG
Cyanide SCHEMBL28342514 0.93 DPP4 (0.54) DPP4KMT2APDCD1CD274PPARG
Biphenyl SCHEMBL15329765 0.93 DPP4 (0.58) DPP4KMT2APDCD1CD274PPARG
Hydrogen Sulfide SCHEMBL27801071 0.93 DPP4 (0.58) DPP4KMT2APDCD1CD274PPARG
Water SCHEMBL9719797 0.93 DPP4 (0.58) DPP4KMT2APDCD1CD274PPARG
Phosphine SCHEMBL27903829 0.93 DPP4 (0.58) DPP4KMT2APDCD1CD274PPARG
Ethane SCHEMBL3681665 0.93 DPP4 (0.58) DPP4KMT2APDCD1CD274PPARG
Ammonia Solution, Strong SCHEMBL27628949 0.93 DPP4 (0.58) DPP4KMT2APDCD1CD274PPARG
Methane SCHEMBL27607425 0.93 DPP4 (0.58) DPP4KMT2APDCD1CD274PPARG

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
CN-105175241-B Terphenyls compound and its preparation method and application 浙江工业大学 2017-09-29 CN disclosed
CN-105175241-A Terphenyl compound and preparation method therefor and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-12-23 CN disclosed