SCHEMBL5721234

SCHEMBL5721234

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
PDK2 Q15119 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
DPP4 P27487 1/20 0.31
PTPN5 P54829 1/20 0.31
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
ATR Q13535 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
SCHEMBL5721411 0.91 PTGS2 (0.32) PDCD1CD274DPP4KMT2A
SCHEMBL5721244 0.90 DPP4 (0.33) TRPA1PDCD1CD274DPP4PTPN5
SCHEMBL5721818 0.89 HEXA (0.33)
SCHEMBL5721826 0.89 PDCD1 (0.33) TRPA1PDCD1CD274DPP4ATR
SCHEMBL5721793 0.85 USP1 (0.36) PPARGPPARA
SCHEMBL5721322 0.85 PTPN5 (0.30) PTPN5
SCHEMBL5721577 0.81 PDK2 (0.33) TRPA1PDK2
SCHEMBL5721734 0.81 PDK2 (0.36) TRPA1PDK2PTPN5
SCHEMBL5721772 0.81 KDM4E (0.31)
SCHEMBL5721706 0.81 ADRB2 (0.31) PPARA

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