SCHEMBL7430277

SCHEMBL7430277

CCCc1ccc(C(=O)CNC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PLK1 P53350 2/20 0.54
ALDH1A1 P00352 4/20 0.53
POLB P06746 4/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
CTDSP1 Q9GZU7 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 2/20 0.49
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48

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
SCHEMBL7425597 0.90 PLK1 (0.57) PLK1ALDH1A1POLBRAB9AMAPT
SCHEMBL7440946 0.86 ALDH1A1 (0.53) PLK1ALDH1A1POLBRAB9AMAPT
SCHEMBL7631396 0.81 L3MBTL1 (0.67) L3MBTL1PLK1ALDH1A1POLBRAB9A
SCHEMBL19234514 0.78 KMT2A (0.61) PLK1ALDH1A1POLBRAB9AMAPT
SCHEMBL7444387 0.78 RAB9A (0.55) L3MBTL1ALDH1A1POLBRAB9AMAPT
SCHEMBL6845396 0.78 KDM4E (0.72) PLK1ALDH1A1MAPTKDM4EHDAC1
SCHEMBL7436867 0.78 HSD17B3 (0.52) L3MBTL1ALDH1A1POLBRAB9AMAPT
SCHEMBL12840799 0.78 ALDH1A1 (0.51) L3MBTL1PLK1ALDH1A1POLBRAB9A
SCHEMBL30089521 0.77 L3MBTL1 (0.85) L3MBTL1PLK1ALDH1A1POLBRAB9A
SCHEMBL10021819 0.77 L3MBTL1 (0.67) L3MBTL1PLK1ALDH1A1POLBRAB9A

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-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed