SCHEMBL4601200

SCHEMBL4601200

COCCOc1[c]c(OCC2CC2)ccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
CNR2 P34972 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CXCR5 P32302 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDR P35968 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
TSHR P16473 1/20 0.31
NR1H4 Q96RI1 2/20 0.31
TLR4 O00206 1/20 0.31
TLR2 O60603 1/20 0.31

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
SCHEMBL4534691 0.85 TDP1 (0.39) RIPK1TDP1PDE4APDE4BPDE4C
SCHEMBL746006 0.79 SMN1; SMN2 (0.39) TSHR
SCHEMBL27716267 0.79 SMN1; SMN2 (0.42) CNR2TSHR
SCHEMBL27737182 0.77 PDE4D (0.33) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5568926 0.75 TDP1 (0.44) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL4689042 0.75 PARP15 (0.37) RIPK1CNR2CXCR5PARP15PARP10
SCHEMBL16970011 0.75 TLR4 (0.35) RIPK1SLC6A4PARP15PARP10PARP2
SCHEMBL2582266 0.74 RIPK1 (0.36) RIPK1PARP15PARP10PARP2TLR4
SCHEMBL1989766 0.73 L3MBTL1 (0.34) TSHR
SCHEMBL27737147 0.73 TSHR (0.34) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed