SCHEMBL5721177

SCHEMBL5721177

CCCCC1=Cc2c(ccc(C)c2-c2ccccc2CC)[CH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
DHFR P00374 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
SKP2 Q13309 1/20 0.31
PTPN1 P18031 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
SCHEMBL5721742 0.92 DHFR (0.32) DHFR
SCHEMBL5721305 0.90 ELANE (0.33) TLR8NR1H2NR1H3LIPGPTPN1
SCHEMBL5721736 0.88 HEXA (0.34) TLR8SKP2
SCHEMBL5721654 0.88 DHFR (0.34) DHFR
SCHEMBL5721202 0.87 ELANE (0.32) TLR8NR1H2NR1H3LIPGPTPN1
SCHEMBL5721690 0.85 PSMB5 (0.33) NR1H2NR1H3
SCHEMBL5721422 0.85 PSMB5 (0.36) DHFRSKP2
SCHEMBL5721708 0.84 PTPN1 (0.31) PTPN1
SCHEMBL5721719 0.81 PDK2 (0.31)
SCHEMBL5721699 0.80 ELANE (0.32)

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