SCHEMBL29929043

SCHEMBL29929043

CC1=C(O)c2ccccc2C(=O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.58
TDP2 O95551 2/20 0.58
P2RX7 Q99572 3/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 5/20 0.52
MAPK1 P28482 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CES2 O00748 1/20 0.52
TERT O14746 1/20 0.52
NPC1 O15118 1/20 0.52
PLIN1 O60240 1/20 0.52
S1PR4 O95977 1/20 0.52
PLA2G1B P04054 1/20 0.52
BCHE P06276 1/20 0.52
PTPRC P08575 1/20 0.52

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
SCHEMBL10216429 0.93 APAF1 (0.61) APAF1TDP2P2RX7MEN1KMT2A
SCHEMBL29728498 0.84 APAF1 (0.68) APAF1TDP2P2RX7MEN1KMT2A
SCHEMBL112795 0.84 APAF1 (0.68) APAF1TDP2P2RX7MEN1KMT2A
SCHEMBL31606781 0.79 APAF1 (0.68) APAF1TDP2P2RX7MEN1KMT2A
SCHEMBL29884321 0.78 APAF1 (0.75) APAF1TDP2P2RX7MEN1KMT2A
SCHEMBL6988547 0.78 APAF1 (0.75) APAF1TDP2P2RX7MEN1KMT2A
SCHEMBL8586117 0.78 S100A4 (0.60) APAF1TDP2MEN1KMT2APOLB
SCHEMBL28977316 0.77 MAOA (0.61) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL29630331 0.76 P2RX7 (0.76) APAF1TDP2P2RX7MEN1KMT2A
SCHEMBL20532817 0.75 APAF1 (0.89) APAF1TDP2P2RX7MEN1KMT2A

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