SCHEMBL8920728

SCHEMBL8920728

CCOC(=O)C(CC(=O)O)(Cc1ccncc1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
PTPRB P23467 2/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
PTPN1 P18031 1/20 0.41
ACP1 P24666 1/20 0.41
CDC7 O00311 5/20 0.39
DBF4 Q9UBU7 5/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 3/20 0.39
PPID Q08752 1/20 0.39
CYP19A1 P11511 1/20 0.38
LATS1 O95835 1/20 0.38
PIN1 Q13526 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
FDPS P14324 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8917735 0.88 PTPRB (0.52) ALDH1A1LMNAPTPRBRECQLMMP8
SCHEMBL3959617 0.81 ALDH1A1 (0.47) ALDH1A1LMNAPTPRBRECQLMMP8
SCHEMBL7442766 0.80 PTPRB (0.46) ALDH1A1LMNAPTPRBRECQLMMP8
SCHEMBL1677466 0.78 MMP8 (0.57) ALDH1A1PTPRBRECQLMMP8CDC7
SCHEMBL3278323 0.78 ALDH1A1 (0.47) ALDH1A1LMNAPTPRBRECQLMMP8
SCHEMBL3278579 0.77 ALDH1A1 (0.49) ALDH1A1LMNAPTPRBRECQLMMP8
SCHEMBL8331685 0.76 CYP19A1 (0.44) ALDH1A1PTPRBPOLBCYP19A1KMT2A
SCHEMBL4419400 0.76 ALDH1A1 (0.62) ALDH1A1LMNAPTPRBRECQLMMP8
SCHEMBL5661041 0.76 ALDH1A1 (0.55) ALDH1A1LMNAPTPRBRECQLMMP8
SCHEMBL3309786 0.75 ALDH1A1 (0.44) ALDH1A1LMNAPTPRBRECQLMMP8

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
US-5658935-A USEFUL AS INHIBITORS OF THROMBOCYTE AGGREGATION, THE METASTASIS OF CARCINOMA CELLS AND THE BINDING OF OSTEOCLASTS ON BONE SURFACES HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed