SCHEMBL5011005

SCHEMBL5011005

[CH](Cc1ccccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
KMT2A Q03164 1/20 0.44
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HTR7 P34969 3/20 0.39
FOLH1 Q04609 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 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
SCHEMBL5008787 0.85 DPP4 (0.41) DPP4KMT2APDCD1CD274HTR7
SCHEMBL8038247 0.82 DPP4 (0.50) DPP4KMT2APDCD1CD274HTR7
SCHEMBL10599731 0.80 PTGER4 (0.50) DPP4KMT2APDCD1CD274KCNA5
SCHEMBL10599724 0.80 PTGER4 (0.50) DPP4KMT2APDCD1CD274KCNA5
SCHEMBL5012503 0.80 DPP4 (0.48) DPP4KMT2APDCD1CD274HTR7
SCHEMBL5013850 0.77 DPP4 (0.46) DPP4KMT2APDCD1CD274HTR7
(Z)-1,2-Diphenylethene SCHEMBL8333767 0.77 GABRA1 (0.46) DPP4KMT2APDCD1CD274HTR7
SCHEMBL2421782 0.77 DPP4 (0.54) DPP4KMT2APDCD1CD274HTR7
SCHEMBL170787 0.77 DPP4 (0.54) DPP4KMT2APDCD1CD274HTR7
SCHEMBL6206041 0.77 DPP4 (0.54) DPP4KMT2APDCD1CD274HTR7

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed