SCHEMBL2648757

SCHEMBL2648757

O=Cc1cccc2[nH]cc(CC(=O)O)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ GAA P10253 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ POLB P06746 1/20 0.66
▸ THRB P10828 1/20 0.66
▸ DNMT1 P26358 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ CASP6 P55212 1/20 0.66
▸ MCL1 Q07820 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.49
▸ CYP2A6 P11509 2/20 0.46
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43

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
SCHEMBL29441750 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL29441752 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL7358453 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL5066497 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL28966319 0.79 KMT2A (0.59) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL4206904 0.78 ALDH1A1 (0.69) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL6287959 0.78 ALDH1A1 (0.69) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL29580629 0.78 ALDH1A1 (0.69) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL5694486 0.78 ALDH1A1 (0.69) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL10824680 0.78 KDM4E (0.69) ALDH1A1KDM4EGAAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 — — US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 — — EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 — — WO disclosed
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