SCHEMBL29929036

SCHEMBL29929036

O=CCc1ccc(O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.65
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
ALOX15 P16050 5/20 0.54
IGF1R P08069 2/20 0.54
TRPA1 O75762 2/20 0.54
KDM4E B2RXH2 7/20 0.54
MAPT P10636 6/20 0.54
HIF1A Q16665 4/20 0.54
HSD17B10 Q99714 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
GAA P10253 3/20 0.54
THPO P40225 3/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
BLM P54132 3/20 0.54
PMP22 Q01453 3/20 0.54
APEX1 P27695 2/20 0.54

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
SCHEMBL891837 1.00 XDH (0.65) XDHCA1CA2CA4CA6
SCHEMBL15173164 0.86 XDH (0.48) XDHCA1CA2CA4CA6
SCHEMBL26249726 0.83 XDH (0.68) XDHCA1CA2CA4CA6
SCHEMBL4378266 0.80 XDH (0.44) XDHCA1CA2CA4CA6
SCHEMBL4767670 0.80 CA6 (0.46) XDHCA1CA2CA4CA6
SCHEMBL4750717 0.80 KDM4E (0.63) XDHCA1CA2CA4CA6
SCHEMBL13725253 0.80 ALDH1A1 (0.46) XDHCA1CA2CA4CA6
SCHEMBL14262449 0.80 XDH (0.44) XDHCA1CA2CA4CA6
SCHEMBL15541448 0.80 XDH (0.44) XDHCA1CA2CA4CA6
SCHEMBL3934805 0.80 CA2 (0.58) XDHCA1CA2ALOX15IGF1R

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 5 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-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
US-20230277125-A1 BREATH-BASED THERAPEUTIC DRUG MONITORING METHOD UNIVERSITÄTS-KINDERSPITAL BEIDER BASEL (CH) 2023-09-07 US disclosed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO disclosed