SCHEMBL9256135

SCHEMBL9256135

NC(=O)C(Nc1cc(C(=O)O)ccc1NCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ CREBBP Q92793 1/20 0.45
▸ HDAC8 Q9BY41 5/20 0.44
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PLEC Q15149 1/20 0.41

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
SCHEMBL7993941 0.78 GAA (0.65) ALDH1A1HPGDL3MBTL1HSD17B10POLB
SCHEMBL30535169 0.78 GAA (0.65) ALDH1A1HPGDL3MBTL1HSD17B10POLB
SCHEMBL9255341 0.78 KDM4E (0.45) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL2430015 0.77 CDC7 (0.61) ALDH1A1HPGDL3MBTL1HSD17B10POLB
Hydrochloric Acid SCHEMBL9248913 0.75 PTGER4 (0.39) ALDH1A1HPGDHSD17B10HDAC8HDAC1
SCHEMBL9246315 0.74 HDAC6 (0.44) ALDH1A1HSD17B10HDAC8HDAC1HDAC6
SCHEMBL1711030 0.73 HDAC8 (0.59) ALDH1A1HPGDL3MBTL1HSD17B10POLB
SCHEMBL6844762 0.73 L3MBTL1 (0.55) ALDH1A1HPGDL3MBTL1HSD17B10POLB
SCHEMBL12949656 0.70 L3MBTL1 (0.52) ALDH1A1HPGDL3MBTL1HSD17B10POLB
SCHEMBL9246140 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 — — US disclosed
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