SCHEMBL7999869

SCHEMBL7999869

O=C1c2ccccc2C(=O)C12OC2c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
MAPT P10636 4/20 0.77
NPSR1 Q6W5P4 4/20 0.77
L3MBTL1 Q9Y468 4/20 0.77
HTT P42858 3/20 0.77
ALOX12 P18054 3/20 0.77
KDM4E B2RXH2 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
LMNA P02545 2/20 0.77
SAE1 Q9UBE0 1/20 0.77
UBA2 Q9UBT2 1/20 0.77
MAPK1 P28482 3/20 0.56
TDP2 O95551 1/20 0.56
HPGD P15428 1/20 0.56
CASP3 P42574 1/20 0.56
GALK1 P51570 1/20 0.56
BLM P54132 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL13114187 0.87 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL7149363 0.85 ALDH1A1 (0.68) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL13847076 0.78 MAPT (0.62) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL4008226 0.78 NPSR1 (0.71) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL14307227 0.77 MAPT (0.53) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL7108506 0.74 CHRM2 (0.49) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL3971547 0.74 CHRM2 (0.49) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL14565662 0.71 NPSR1 (0.61) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL11441957 0.69 LMNA (0.45) ALDH1A1MAPTNPSR1L3MBTL1HTT
SCHEMBL11435300 0.67 MAPT (0.50) ALDH1A1MAPTNPSR1L3MBTL1HTT

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-6153645-A FOR INHIBITING GROWTH OF MICROORGANISMS; INHIBITOR OF AMINOACYL-TRNA SYNTHETASE CUBIST PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
WO-2000017206-A1 TETRACYCLIC HETEROCYCLES AS ANTIMICROBIAL AGENTS CUBIST PHARMACEUTICALS, INC. (US) 2000-03-30 WO disclosed