SCHEMBL29906115

SCHEMBL29906115

COc1c(O)ccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.70
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
MAPT P10636 8/20 0.63
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
ALDH1A1 P00352 6/20 0.62
MCL1 Q07820 6/20 0.62
BCL2 P10415 4/20 0.62
MAPK1 P28482 3/20 0.62
MAOA P21397 3/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 3/20 0.62
CYP3A4 P08684 3/20 0.62
ALOX15 P16050 2/20 0.62
ALOX12 P18054 1/20 0.62
APEX1 P27695 1/20 0.62
RECQL P46063 1/20 0.62
DAPK1 P53355 1/20 0.62
CYP1B1 Q16678 1/20 0.62

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
SCHEMBL1426442 1.00 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL19462002 0.88 MAOA (0.66) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL19462005 0.86 MAOA (0.67) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL4249550 0.86 MAPT (0.62) SMN1; SMN2RAB9ANPC1MAPTMEN1
Hydrochloric Acid SCHEMBL2461009 0.85 RAB9A (0.53) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL18932156 0.85 MAPT (0.57) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL3067968 0.84 MAPT (0.61) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL19438363 0.83 LCK (0.55) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL3419749 0.82 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL496978 0.82 RAB9A (1.00) SMN1; SMN2RAB9ANPC1MAPTMEN1

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-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
WO-2022182523-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO disclosed