SCHEMBL9665050

SCHEMBL9665050

O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.78
▸ GAA P10253 1/20 0.78
▸ KMT2A Q03164 6/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ MAPT P10636 2/20 0.67
▸ POLB P06746 3/20 0.66
▸ AADAT Q8N5Z0 1/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ TSHR P16473 1/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.59
▸ PKM P14618 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL392680 0.88 ALDH1A1 (1.00) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL30216480 0.88 ALDH1A1 (1.00) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL4861809 0.88 ALDH1A1 (1.00) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL478614 0.88 ALDH1A1 (1.00) ALDH1A1GAAKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7840775 0.86 ALDH1A1 (0.97) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL10898781 0.82 KDM4E (0.57) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL11539697 0.81 KDM4E (0.60) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL8825117 0.80 KMT2A (0.79) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL25583428 0.80 KDM4E (0.76) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL25583427 0.80 KDM4E (0.58) ALDH1A1GAAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 — — EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 — — US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 — — US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 — — EP disclosed
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