SCHEMBL31344167

SCHEMBL31344167

O=C(O)CN(CCOCCOc1ccccc1N(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 1/20 0.48
PTK2B Q14289 1/20 0.48
CA1 P00915 13/20 0.47
CA2 P00918 13/20 0.47
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL17707465 1.00 TDP1 (0.78) TDP1BLMPMP22HSD17B10ALDH1A1
SCHEMBL31185081 0.88 TDP1 (1.00) TDP1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL232103 0.88 TDP1 (1.00) TDP1ALDH1A1KMT2APTK2BKDM4E
Ethane SCHEMBL28264318 0.85 TDP1 (0.93) TDP1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL13235779 0.83 TDP1 (0.82) TDP1ALDH1A1KMT2APTK2BCA1
SCHEMBL19557489 0.83 TDP1 (0.57) TDP1BLMPMP22HSD17B10ALDH1A1
SCHEMBL17640377 0.81 TDP1 (0.85) TDP1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL13560703 0.80 TDP1 (0.82) TDP1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL24026056 0.79 TDP1 (0.80) TDP1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL21697865 0.79 TDP1 (0.80) TDP1ALDH1A1KMT2APTK2BKDM4E

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
EP-4716533-A2 FLUORESCENT INDICATORS FOR METAL ION DETECTION AS SUBSTRATES FOR A SELF-LABELING ENZYME Ion Biosciences (US) 2026-04-01 EP disclosed
WO-2024243471-A2 FLUORESCENT INDICATORS FOR METAL ION DETECTION AS SUBSTRATES FOR A SELF-LABELING ENZYME ION Biosciences (US) 2024-11-28 WO disclosed