SCHEMBL7732296

SCHEMBL7732296

CC(=O)c1ccc(-c2ccc(OCCCCCCCCCCCNC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.60
MAPT P10636 2/20 0.60
MAOB P27338 1/20 0.55
GAA P10253 1/20 0.53
TGM2 P21980 1/20 0.53
HTT P42858 2/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MMP2 P08253 1/20 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
SCHEMBL9205258 0.88 L3MBTL1 (0.75) L3MBTL1MAPTMAOBGAAHTT
SCHEMBL29270738 0.82 L3MBTL1 (0.66) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL18381590 0.81 MAPT (0.70) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL29270743 0.80 L3MBTL1 (0.59) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL26962714 0.80 L3MBTL1 (0.63) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL15346534 0.79 HTT (0.79) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL9340146 0.79 HTT (0.79) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL9874334 0.79 HTT (0.79) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL20500014 0.78 L3MBTL1 (0.74) L3MBTL1MAPTTGM2HTTLMNA
SCHEMBL20497343 0.78 L3MBTL1 (0.63) L3MBTL1MAPTTGM2HTTLMNA

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
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed