SCHEMBL5721244

SCHEMBL5721244

CCc1ccccc1-c1c(-c2ccccc2)ccc2c1C=C(c1ccccc1)[CH]2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTPN5 P54829 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TRPA1 O75762 1/20 0.32
ATR Q13535 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL5721234 0.90 TRPA1 (0.33) DPP4PDCD1CD274PTPN5KMT2A
SCHEMBL5721826 0.88 PDCD1 (0.33) DPP4PDCD1CD274TRPA1ATR
SCHEMBL5721629 0.86 PDCD1 (0.36) DPP4PDCD1CD274PTPN5KMT2A
SCHEMBL5721369 0.86 PTPN5 (0.35) DPP4PDCD1CD274PTPN5KMT2A
SCHEMBL5721411 0.84 PTGS2 (0.32) DPP4PDCD1CD274KMT2A
SCHEMBL5721322 0.84 PTPN5 (0.30) PTPN5
SCHEMBL5609823 0.84 HDAC4 (0.32)
SCHEMBL5721217 0.83 PTPN5 (0.33) DPP4PDCD1CD274PTPN5KMT2A
SCHEMBL5721193 0.81 NPC1 (0.37) ADORA2AADORA1
SCHEMBL5721171 0.81 MME (0.32) PDCD1CD274PTPN5KMT2APPARG

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed