SCHEMBL29928804

SCHEMBL29928804

O=C1c2cc(O)ccc2C(=O)c2c(O)cccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.68
TTR P02766 3/20 0.67
MAPT P10636 5/20 0.66
ALDH1A1 P00352 4/20 0.66
MAOB P27338 3/20 0.66
MAPK1 P28482 3/20 0.66
TSHR P16473 3/20 0.66
TDP1 Q9NUW8 3/20 0.66
HPGD P15428 3/20 0.66
ALOX15 P16050 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
HSD17B10 Q99714 3/20 0.66
LMNA P02545 2/20 0.66
HTT P42858 1/20 0.66
ESR1 P03372 1/20 0.64
UGT1A1 P22309 1/20 0.64
ESR2 Q92731 1/20 0.64
BCL2 P10415 3/20 0.61
MCL1 Q07820 3/20 0.61
AURKA O14965 1/20 0.58

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
SCHEMBL31560165 1.00 MAOA (0.68) MAOATTRMAPTALDH1A1MAOB
SCHEMBL2770797 1.00 MAOA (0.68) MAOATTRMAPTALDH1A1MAOB
SCHEMBL2770562 1.00 MAOA (0.68) MAOATTRMAPTALDH1A1MAOB
SCHEMBL7792651 0.91 MAOA (0.62) MAOATTRMAPTALDH1A1MAOB
SCHEMBL4408404 0.91 MAOA (0.64) MAOATTRMAPTALDH1A1MAOB
SCHEMBL10011427 0.91 MAOA (0.64) MAOATTRMAPTALDH1A1MAOB
SCHEMBL7796247 0.91 MAOA (0.62) MAOATTRMAPTALDH1A1MAOB
Anthraflavicacid SCHEMBL28102629 0.87 MAOA (0.70) MAOATTRMAPTALDH1A1MAOB
SCHEMBL16656217 0.87 TTR (0.60) MAOATTRMAPTALDH1A1MAOB
SCHEMBL3181589 0.85 MAOA (0.79) MAOATTRMAPTALDH1A1MAOB

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-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed