SCHEMBL7764145

SCHEMBL7764145

CC(C)CC(C(=O)O)C(Cc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
ENPP2 Q13822 1/20 0.40
ELANE P08246 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7764153 1.00 CASP3 (0.45) CASP3KMT2AMEN1HPGDHDAC1
SCHEMBL6943915 0.85 MMP1 (0.49) KMT2AMEN1ELANEMMP1MMP2
SCHEMBL5098057 0.85 MMP1 (0.49) KMT2AMEN1ELANEMMP1MMP2
SCHEMBL7377622 0.85 MMP1 (0.49) KMT2AMEN1ELANEMMP1MMP2
SCHEMBL6943911 0.85 MMP1 (0.49) KMT2AMEN1ELANEMMP1MMP2
SCHEMBL27471453 0.84 ACE (0.47) POLB
SCHEMBL6940090 0.84 ACE (0.47) POLB
SCHEMBL7372741 0.82 MMP1 (0.49) KMT2AMEN1ELANEMMP1MMP2
SCHEMBL7372744 0.82 MMP1 (0.49) KMT2AMEN1ELANEMMP1MMP2
SCHEMBL7957368 0.82 MME (0.47) MMP1POLB

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-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed