SCHEMBL12972253

SCHEMBL12972253

CC(C)(C)[Si](C)(C)Oc1ccc(CC(N)C(=O)O)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.48
PPARG P37231 1/20 0.48
AGTR2 P50052 1/20 0.48
MEN1 O00255 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 2/20 0.48
SLC7A5 Q01650 6/20 0.48
PTGS1 P23219 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 1/20 0.48
RECQL P46063 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL1877195 1.00 NR1I2 (0.48) NR1I2PPARGAGTR2MEN1BLM
SCHEMBL15149897 0.90 NR1I2 (0.46) NR1I2PPARGAGTR2MEN1BLM
SCHEMBL30605288 0.89 MEN1 (0.60) NR1I2PPARGAGTR2MEN1BLM
SCHEMBL15151258 0.84 PKM (0.41) NR1I2PPARGAGTR2MEN1BLM
SCHEMBL14728214 0.82 PTPN1 (0.55) MEN1KMT2APKMSLC7A5PTGS1
SCHEMBL9694700 0.82 PTPN1 (0.55) MEN1KMT2APKMSLC7A5PTGS1
SCHEMBL21359392 0.79 DRD2 (0.55) MEN1BLMKMT2APTGS1KDM4E
SCHEMBL21856450 0.79 DRD2 (0.44) KMT2AKDM4EALOX15DRD2LDHA
SCHEMBL21856452 0.79 DRD2 (0.44) KMT2AKDM4EALOX15DRD2LDHA
SCHEMBL14366415 0.79 LDHA (0.53) PPARGTPH1DRD2LDHA

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
WO-2025043301-A1 METAL-BINDING COMPOUNDS AND METAL COMPLEXES, METHODS OF THEIR PREPARATION, AND USES IN THE COMPLEXING OF METAL IONS QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2025-03-06 WO disclosed
US-8815793-B2 Polymeric compositions and related methods of use NORTHWESTERN UNIVERSITY (US) 2014-08-26 US disclosed
US-7858679-B2 Polymeric compositions and related methods of use NORTHWESTERN UNIVERSITY (US) 2010-12-28 US disclosed