SCHEMBL31362559

SCHEMBL31362559

CCOC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.51
NR1D1 P20393 3/20 0.43
MMP8 P22894 2/20 0.41
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 4/20 0.40
ACE P12821 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL32676795 0.95 PTPN1 (0.46) PTPN1NR1D1MMP8MMP3ACE
SCHEMBL32676890 0.95 PTPN1 (0.46) PTPN1NR1D1MMP8MMP3ACE
SCHEMBL9849305 0.90 PTPN1 (0.55) PTPN1HDAC8ALDH1A1
SCHEMBL29780698 0.90 PTPN1 (0.55) PTPN1HDAC8ALDH1A1
SCHEMBL19329075 0.90 PTPN1 (0.55) PTPN1HDAC8ALDH1A1
SCHEMBL32677213 0.88 PTPN1 (0.53) PTPN1NR1D1MMP8MMP3HDAC8
SCHEMBL32676675 0.88 PTPN1 (0.53) PTPN1NR1D1MMP8MMP3HDAC8
SCHEMBL2730308 0.86 PTPN1 (0.51) PTPN1NR1D1MMP8MMP3HDAC8
SCHEMBL18765927 0.86 PTPN1 (0.51) PTPN1NR1D1MMP8MMP3HDAC8
SCHEMBL20720214 0.86 PTPN1 (0.51) PTPN1NR1D1MMP8MMP3HDAC8

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-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 WO disclosed