SCHEMBL28679459

SCHEMBL28679459

O=C(O)c1ccc(-c2cccc(C(=O)O)c2C(=O)O)cc1C(=O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CDC25A P30304 1/20 0.47
ACMSD Q8TDX5 5/20 0.45
MCL1 Q07820 3/20 0.45
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HNF4A P41235 3/20 0.43
ATM Q13315 1/20 0.43
AKR1C3 P42330 1/20 0.40
FOLH1 Q04609 2/20 0.40
DHFR P00374 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN11 Q06124 1/20 0.39
MYC P01106 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
SCHEMBL87895 0.98 CDC25B (0.49) CDC25BHSD17B10CDC25AACMSDMCL1
Pyromellitic Acid SCHEMBL15228126 0.97 CDC25B (0.47) CDC25BHSD17B10CDC25AACMSDMCL1
Water SCHEMBL9437059 0.97 CDC25B (0.47) CDC25BHSD17B10CDC25AACMSDMCL1
Water SCHEMBL6403598 0.97 CDC25B (0.47) CDC25BHSD17B10CDC25AACMSDMCL1
SCHEMBL9240427 0.97 CDC25B (0.47) CDC25BHSD17B10CDC25AACMSDMCL1
SCHEMBL29575085 0.97 CDC25B (0.47) CDC25BHSD17B10CDC25AACMSDMCL1
SCHEMBL10413641 0.87 MCL1 (0.41) CDC25BHSD17B10CDC25AACMSDMCL1
Ether SCHEMBL10413640 0.87 PTPN11 (0.44) CDC25BHSD17B10CDC25AACMSDMCL1
SCHEMBL7139018 0.85 HNF4A (0.53) CDC25BHSD17B10ACMSDMCL1ALDH1A1
SCHEMBL1346651 0.85 MCL1 (0.42) CDC25BHSD17B10CDC25AACMSDMCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114084994-B Treatment method of BPDA series acidified waste brine 河北海力香料股份有限公司 2022-05-03 CN disclosed
CN-114084994-A Treatment method of BPDA series acidified waste brine 河北海力香料股份有限公司 2022-02-25 CN disclosed