SCHEMBL8725561

SCHEMBL8725561

C=CC1CCC(C2CCC(OC(F)(F)c3ccc(COCCC)cc3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL8725553 1.00 PTPN2 (0.32) PTPN2PTPN1PTPN6GABRA1GABRB2
SCHEMBL8725558 1.00 PTPN2 (0.32) PTPN2PTPN1PTPN6GABRA1GABRB2
SCHEMBL8727248 0.79 GBA1 (0.34) GABRA1GABRB2
SCHEMBL8730973 0.78 MAOB (0.34)
SCHEMBL8730980 0.78 MAOB (0.34)
SCHEMBL8730983 0.78 MAOB (0.34)
SCHEMBL8730777 0.77 SPHK1 (0.35)
SCHEMBL8730772 0.77 SPHK1 (0.35)
SCHEMBL8730783 0.77 SPHK1 (0.35)
SCHEMBL8727107 0.77 SPHK1 (0.35)

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed