SCHEMBL3828115

SCHEMBL3828115

C[C](C)Cc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
DPP4 P27487 1/20 0.42
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.39
HNF4A P41235 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PTPN5 P54829 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL28173176 0.84 DPP4 (0.54) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL2925420 0.81 AKR1B1 (0.52) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL7204765 0.80 PDCD1 (0.62) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL5010172 0.80 PDCD1 (0.44) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL9842487 0.79 PDCD1 (0.47) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL28909718 0.79 FOLH1 (0.51) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL5011002 0.79 PDCD1 (0.43) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL28214173 0.79 DPP4 (0.47) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL8459429 0.79 PDCD1 (0.50) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL5139126 0.78 DPP4 (0.50) PDCD1CD274DPP4KMT2AFOLH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed