SCHEMBL16879299

SCHEMBL16879299

COC(=O)C1Cc2ccc(OC)cc2CN1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.57
HDAC8 Q9BY41 3/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
MMP8 P22894 10/20 0.46
MMP3 P08254 5/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL16879298 1.00 PTPN1 (0.57) PTPN1HDAC8OPRM1OPRD1OPRK1
SCHEMBL7536598 0.90 PTPN1 (0.71) PTPN1HDAC8
SCHEMBL19329100 0.90 PTPN1 (0.71) PTPN1HDAC8
SCHEMBL19329065 0.86 PTPN1 (0.50) PTPN1HDAC8OPRM1OPRD1OPRK1
SCHEMBL1201702 0.85 PTPN1 (0.65) PTPN1HDAC8
SCHEMBL19329075 0.84 PTPN1 (0.55) PTPN1HDAC8PDE4BPDE4D
SCHEMBL29780698 0.84 PTPN1 (0.55) PTPN1HDAC8PDE4BPDE4D
SCHEMBL16879098 0.84 PTPN1 (0.55) PTPN1HDAC8OPRM1OPRD1OPRK1
SCHEMBL16879099 0.84 PTPN1 (0.55) PTPN1HDAC8OPRM1OPRD1OPRK1
SCHEMBL9849305 0.84 PTPN1 (0.55) PTPN1HDAC8PDE4BPDE4D

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
WO-2015103527-A1 MODULATORS OF REV-ERB THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-09 WO disclosed