SCHEMBL9806524

SCHEMBL9806524

CCOC(=O)N(O)C(C)c1ccc(C)c(Nc2ccccc2C(=O)OC)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.47
PTGS2 P35354 1/20 0.47
CDC25B P30305 6/20 0.43
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9806548 0.91 CLCN2 (0.44) METTL3PTGS2CDC25BCDC25ACDC25C
SCHEMBL9806595 0.87 PTGS2 (0.50) METTL3PTGS2CDC25BKDM4EALDH1A1
SCHEMBL9806521 0.76 FTO (0.48) METTL3PTGS2CDC25BMAPTHPGD
SCHEMBL16656521 0.76 PTGS2 (0.66) METTL3PTGS2CDC25BCDC25ACDC25C
SCHEMBL9806507 0.73 MAPT (0.47) PTGS2CDC25BCDC25ACDC25CKDM4E
SCHEMBL9806512 0.69 PTGS2 (0.61) METTL3PTGS2MAPTALOX15KMT2A
SCHEMBL9806488 0.69 CDC25B (0.49) METTL3PTGS2CDC25BCDC25ACDC25C
SCHEMBL6808925 0.68 PTGS2 (0.62) METTL3PTGS2CDC25BCDC25ACDC25C
SCHEMBL9806546 0.67 PTGS2 (0.60) METTL3PTGS2MAPTKMT2AGAA
SCHEMBL20419769 0.66 PTGS2 (0.62) METTL3PTGS2KDM4EALDH1A1MAPT

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-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US claimed