SCHEMBL7740744

SCHEMBL7740744

CC(=O)c1ccc(-c2ccc(OCCC3CCCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PARP15 Q460N3 2/20 0.49
PARP10 Q53GL7 2/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11893183 0.96 NFE2L2 (0.60) NFE2L2L3MBTL1GAAMEN1KMT2A
SCHEMBL7732352 0.89 HRH2 (0.49) NFE2L2L3MBTL1KDM4EHRH2HRH1
SCHEMBL8363893 0.86 NFE2L2 (0.45) NFE2L2L3MBTL1GAAMEN1KMT2A
SCHEMBL7737448 0.84 PARP10 (0.66) L3MBTL1GAAMEN1KMT2APARP15
SCHEMBL7316232 0.82 NFE2L2 (0.62) NFE2L2L3MBTL1MEN1KMT2APARP15
SCHEMBL8363827 0.82 GAA (0.54) L3MBTL1GAAMEN1KMT2AMAPT
SCHEMBL7733823 0.81 PARP15 (0.66) L3MBTL1GAAMEN1KMT2APARP15
SCHEMBL7321013 0.81 NFE2L2 (0.60) NFE2L2MEN1KMT2APARP15PARP10
SCHEMBL6958286 0.81 PARP10 (0.72) L3MBTL1GAAMEN1KMT2APARP15
SCHEMBL7733935 0.80 KDM4E (0.56) KDM4EALDH1A1HRH2HRH1RAB9A

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