SCHEMBL18197823

SCHEMBL18197823

CC1=C(CCOCC(C)C)C(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
IDO1 P14902 1/20 0.33

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
SCHEMBL18197791 0.85 IDO1 (0.42) PTPN2PTPN1CDC25BIDO1
SCHEMBL17827016 0.82 PTPN2 (0.34) PTPN2PTPN1CDC25BIDO1
SCHEMBL9198672 0.76 PTPN2 (0.30) PTPN2PTPN1CDC25B
SCHEMBL29934381 0.76 IDO1 (0.50) PTPN2PTPN1CDC25BIDO1
SCHEMBL8443626 0.74 PTPN2 (0.35) PTPN2PTPN1CDC25B
SCHEMBL3635614 0.72 IDO1 (0.40) PTPN2PTPN1CDC25BIDO1
SCHEMBL1617685 0.69 DAO (0.39) PTPN2PTPN1CDC25B
SCHEMBL8443084 0.69 MAPT (0.40) PTPN2PTPN1CDC25B
SCHEMBL2579044 0.69 MAPT (0.40) PTPN2PTPN1CDC25B
SCHEMBL8443621 0.69 MAPT (0.40) PTPN2PTPN1CDC25B

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-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed