SCHEMBL29099768

SCHEMBL29099768

Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)cc1)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
POLB P06746 2/20 1.00
MEN1 O00255 2/20 1.00
APEX1 P27695 1/20 1.00
RECQL P46063 1/20 1.00
CACNA1B Q00975 1/20 1.00
APBA1 Q02410 1/20 1.00
MCL1 Q07820 1/20 1.00
CTDSP1 Q9GZU7 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
ABCG2 Q9UNQ0 2/20 0.81
CRHBP P24387 1/20 0.81
CRHR2 Q13324 1/20 0.81
ESR1 P03372 3/20 0.68
ESR2 Q92731 2/20 0.68
CYP19A1 P11511 3/20 0.67
CYP3A4 P08684 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
CYP1A1 P04798 2/20 0.67
CYP1A2 P05177 2/20 0.67

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
SCHEMBL29906199 1.00 KMT2A (1.00) KMT2APOLBMEN1APEX1RECQL
SCHEMBL24406183 1.00 KMT2A (1.00) KMT2APOLBMEN1APEX1RECQL
Strobopinin SCHEMBL4740200 0.90 ABCG2 (1.00) KMT2APOLBMEN1APEX1RECQL
Strobopinin SCHEMBL4740199 0.90 ABCG2 (1.00) KMT2APOLBMEN1APEX1RECQL
SCHEMBL30064298 0.88 PLK1 (0.80) KMT2APOLBMEN1APEX1RECQL
SCHEMBL476289 0.88 PLK1 (0.80) KMT2APOLBMEN1APEX1RECQL
Succedaneaflavanone SCHEMBL615879 0.88 KMT2A (0.78) KMT2APOLBMEN1APEX1RECQL
SCHEMBL476401 0.88 PLK1 (0.80) KMT2APOLBMEN1APEX1RECQL
SCHEMBL27775449 0.84 NPC1 (0.82) KMT2APOLBMEN1APEX1RECQL
SCHEMBL22055436 0.83 CYP19A1 (0.78) KMT2APOLBMEN1APEX1RECQL

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
CN-116990401-A Method for analyzing three-white soup ingredients by using ultrahigh resolution liquid chromatography-mass spectrometry technology 安徽中医药大学 2023-11-03 CN claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO disclosed