SCHEMBL22845122

SCHEMBL22845122

O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCC(C(=O)CO)C3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MAOA P21397 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DAPK1 P53355 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
MAPK1 P28482 2/20 0.38
RECQL P46063 2/20 0.38
CYP1B1 Q16678 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TTR P02766 2/20 0.38
CYP1A1 P04798 1/20 0.38
HSPD1 P10809 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL14045897 0.89 MAOA (0.44) MAPTMAOAMEN1KMT2AALDH1A1
SCHEMBL12713379 0.89 MAOA (0.44) MAPTMAOAMEN1KMT2AALDH1A1
SCHEMBL20978684 0.88 ADORA2A (0.40) MAPTMAOAMEN1KMT2AALDH1A1
SCHEMBL13154627 0.87 SOS1 (0.36) MAPTMAOAMEN1KMT2AALDH1A1
SCHEMBL27321737 0.85 MEN1 (0.42) MAPTMAOAMEN1KMT2ADAPK1
SCHEMBL8171745 0.84 EGFR (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13444092 0.84 EGFR (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL497017 0.84 MAPT (0.40) MAPTMAOAMEN1KMT2ADAPK1
SCHEMBL10789834 0.84 MAPT (0.40) MAPTMAOAMEN1KMT2ADAPK1
SCHEMBL19037043 0.82 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021102404-A1 LUNG TARGETED ANTICANCER THERAPIES WITH LIPOSOMAL ANNAMYCIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-27 WO disclosed
WO-2020264161-A1 METHOD OF RECONSTITUTING LIPOSOMAL ANNAMYCIN PICKER DONALD (US) 2020-12-30 WO disclosed
WO-2020264160-A1 PREPARATION OF PRELIPOSOMAL ANNAMYCIN LYOPHILIZATE PICKER DONALD (US) 2020-12-30 WO disclosed