SCHEMBL5008804

SCHEMBL5008804

C[C](CCCc1ccccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.43
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
PTGER2 P43116 4/20 0.43
DPP4 P27487 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
FOLH1 Q04609 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TPH1 P17752 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL5010171 0.90 PTGER4 (0.49) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL5010134 0.79 DPP4 (0.48) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL12506252 0.78 DPP4 (0.60) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL6843947 0.77 PTGER4 (0.63) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL1535892 0.76 DPP4 (0.54) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL500162 0.76 PPARA (0.47) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL5013834 0.75 SIGMAR1 (0.46) KMT2ATDP1
SCHEMBL11038460 0.75 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL3281895 0.75 L3MBTL1 (0.44) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL5012485 0.74 TDP1 (0.60) KMT2AHDAC3HDAC1HDAC2HDAC6

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