SCHEMBL29956901

SCHEMBL29956901

CC(=O)c1cc(C(=O)O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
PTGS2 P35354 3/20 0.59
CA12 O43570 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
GAA P10253 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTT P42858 1/20 0.53
MYC P01106 2/20 0.49
CSNK2A1 P68400 1/20 0.48
ALOX5 P09917 1/20 0.47
MCL1 Q07820 2/20 0.46
KDM5A P29375 1/20 0.46

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
SCHEMBL1162134 1.00 KDM4E (0.59) KDM4ECA1CA2PTGS2CA12
SCHEMBL7295677 0.87 PKM (0.57) POLBMAPTHTTAKR1C3AKR1C2
SCHEMBL330378 0.85 KDM4E (0.67) KDM4ECA1CA2PTGS2CA12
SCHEMBL30268239 0.85 KDM4E (0.67) KDM4ECA1CA2PTGS2CA12
SCHEMBL458033 0.83 CSNK2A1 (0.59) KDM4ECA1CA2PTGS2CA12
SCHEMBL29955411 0.83 CSNK2A1 (0.59) KDM4ECA1CA2PTGS2CA12
SCHEMBL1561232 0.83 KDM4E (0.59) KDM4ECA1CA2PTGS2CA12
SCHEMBL6589349 0.83 TSHR (0.50) KDM4EGAAMYCAKR1C3AKR1C2
SCHEMBL10541064 0.83 KDM4E (0.64) KDM4ECA1CA2PTGS2CA12
SCHEMBL10546163 0.83 KDM4E (0.64) KDM4ECA1CA2PTGS2CA12

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
WO-2025106974-A1 PRODRUG MOIETIES AND COMPOUNDS COMPRISING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-05-22 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed