SCHEMBL7733807

SCHEMBL7733807

CCCCOc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.76
GAA P10253 1/20 0.73
RARB P10826 4/20 0.69
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
MAPT P10636 3/20 0.58
PLA2G4B P0C869 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL7738251 1.00 L3MBTL1 (0.76) L3MBTL1GAARARBTP53TSHR
SCHEMBL7732272 0.97 L3MBTL1 (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL903877 0.97 L3MBTL1 (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL9000300 0.95 GAA (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL12243177 0.95 GAA (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL15177348 0.95 GAA (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL7739031 0.95 GAA (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL10536554 0.95 GAA (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL9126821 0.95 GAA (0.77) L3MBTL1GAARARBTP53TSHR
SCHEMBL9637119 0.95 GAA (0.77) L3MBTL1GAARARBTP53TSHR

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