SCHEMBL6901038

SCHEMBL6901038

CC1=CC=C(OC(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39

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
SCHEMBL14900001 0.78 PTPN1 (0.37) PTPN1
SCHEMBL13187428 0.76
SCHEMBL18924213 0.71
SCHEMBL14865123 0.71
SCHEMBL2531786 0.71
SCHEMBL12332396 0.68 PTPN1 (0.31) PTPN1
SCHEMBL18382986 0.67 PTPN1 (0.36) PTPN1
SCHEMBL5983488 0.67 PTPN1 (0.31) PTPN1
SCHEMBL8256176 0.67
SCHEMBL15976424 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
WO-2011030068-A1 USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE LABORATOIRES FOURNIER SA (FR) 2011-03-17 WO disclosed