SCHEMBL8398863

SCHEMBL8398863

CCN(CC)c1ccc2cc(C(=O)NCCNC(=O)OC(C)(C)C)c(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.60
▸ MEN1 O00255 8/20 0.60
▸ MAPT P10636 7/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ ATM Q13315 4/20 0.60
▸ HPGD P15428 4/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ MAOB P27338 3/20 0.60
▸ USP2 O75604 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ SLC16A3 O15427 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ SLC16A1 P53985 1/20 0.60
▸ GBA1 P04062 1/20 0.58
▸ NPC1 O15118 1/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ STAT1 P42224 1/20 0.56

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
SCHEMBL28625138 0.86 GBA1 (0.52) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL27310733 0.85 ALDH1A1 (0.55) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL30898572 0.85 ALDH1A1 (0.55) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL27308862 0.85 ALDH1A1 (0.55) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL13403918 0.85 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL21806091 0.84 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL30049119 0.84 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL24803042 0.84 MAOB (0.74) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL9303724 0.84 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL16293207 0.84 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1ATM

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-0715721-B1 PHOSPHATE ASSAY MEDICAL RES COUNCIL (GB) 1999-11-10 — — EP disclosed
US-5898069-A PHOSPHATE-BINDING PROTEIN CONTAINING (I) AN INORGANIC PHOSPHATE ION BINDING SITE AND (II) A DETECTABLE LABEL THAT PRODUCES A SIGNAL WHOSE AMPLITUDE CHANGES DETECTABLY UPON THE BINDING OF INORGANIC PHOSPHATE ION TO THE BINDING SITE MEDICAL RESEARCH COUNCIL (GB) 1999-04-27 — — US disclosed
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