SCHEMBL7364713

SCHEMBL7364713

CC(C)C[C@@H](C=O)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.44
NPC1 O15118 1/20 0.44
HDAC7 Q8WUI4 5/20 0.42
HDAC1 Q13547 4/20 0.42
CTSB P07858 4/20 0.41
ELANE P08246 1/20 0.40
MMP3 P08254 4/20 0.40
MMP2 P08253 4/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 2/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6953525 0.83 MME (0.57) HDAC7HDAC1MMP3MMP2MMP1
SCHEMBL7364710 0.83 NPC1 (0.44) NPC1HDAC7HDAC1ELANEMMP3
SCHEMBL6953223 0.79 MMP3 (0.63) MMP3MMP2ALDH1A1MMP1MMP9
SCHEMBL7384525 0.78 MME (0.58) MMP3MMP2MMP1MMP9
SCHEMBL8387108 0.78 MME (0.58) MMP3MMP2MMP1MMP9
SCHEMBL6956557 0.77 MMP9 (0.58) MMP3MMP2MMP1MMP9
SCHEMBL8391834 0.77 MMP3 (0.50) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7427129 0.76 MMP1 (0.58) MMP3MMP2MMP1MMP9ADAM17
SCHEMBL6415164 0.76 MMP1 (0.58) MMP3MMP2MMP1MMP9ADAM17
SCHEMBL6951780 0.76 MMP3 (0.46) NPC1MMP3MMP2ALDH1A1MMP1

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed