SCHEMBL29928697

SCHEMBL29928697

O=C1c2cccc(O)c2C(=O)c2c(O)cc(O)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
MAPT P10636 5/20 0.74
TDP1 Q9NUW8 5/20 0.74
TSHR P16473 4/20 0.74
MAOA P21397 4/20 0.74
MAPK1 P28482 4/20 0.74
LMNA P02545 3/20 0.74
ALOX15 P16050 3/20 0.74
MAOB P27338 3/20 0.74
HSD17B10 Q99714 3/20 0.74
HPGD P15428 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HTT P42858 1/20 0.74
BCL2 P10415 1/20 0.73
MCL1 Q07820 1/20 0.73
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
CYP3A4 P08684 4/20 0.70
ELANE P08246 4/20 0.70
RECQL P46063 3/20 0.70

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
SCHEMBL8199540 1.00 ALDH1A1 (0.74) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL29406720 0.94 BCL2 (0.76) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL3190101 0.94 BCL2 (0.76) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL16432715 0.86 ELANE (0.67) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL29596527 0.86 ELANE (0.67) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL29596416 0.86 ELANE (0.67) ALDH1A1MAPTTDP1TSHRMAOA
Danthron SCHEMBL30544826 0.86 MAPT (1.00) ALDH1A1MAPTTDP1TSHRMAOA
Danthron SCHEMBL29356886 0.86 MAPT (1.00) ALDH1A1MAPTTDP1TSHRMAOA
Danthron SCHEMBL83688 0.86 MAPT (1.00) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL29390162 0.86 ESR1 (0.77) ALDH1A1MAPTTDP1TSHRMAOA

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