SCHEMBL7732461

SCHEMBL7732461

CC(=O)c1ccc(-c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.51
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SCN9A Q15858 1/20 0.46
PPARG P37231 1/20 0.45
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 1/20 0.41
RARB P10826 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41

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
SCHEMBL7732958 0.96 L3MBTL1 (0.57) L3MBTL1GAACA9ALDH1A1MAPT
SCHEMBL7737561 0.85 CA9 (0.52) L3MBTL1GAACA9ALDH1A1LMNA
SCHEMBL2387597 0.83 PKM (0.53) L3MBTL1ALDH1A1SCN9APPARGEPHX2
SCHEMBL2386670 0.81 PPARG (0.56) L3MBTL1CA9ALDH1A1MAPTSCN9A
SCHEMBL6437134 0.80 GAA (0.56) L3MBTL1GAAALDH1A1MAPTLMNA
SCHEMBL9998760 0.79 ALDH1A1 (0.47) L3MBTL1CA9ALDH1A1MAPTLMNA
SCHEMBL21900500 0.77 ALDH1A1 (0.46) L3MBTL1CA9ALDH1A1LMNASCN9A
Ethylparaben SCHEMBL2430544 0.77 HSP90AA1 (0.55) L3MBTL1CA9ALDH1A1MAPTLMNA
SCHEMBL16621363 0.74 ALDH1A1 (0.49) L3MBTL1CA9ALDH1A1LMNAPPARG
SCHEMBL7733807 0.74 L3MBTL1 (0.76) L3MBTL1GAAALDH1A1MAPTLMNA

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 4 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-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
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