SCHEMBL31345017

SCHEMBL31345017

CC(C)(C)[Si](C)(C)OCc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
IDO1 P14902 2/20 0.36
AMY1A P0DUB6 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSPB1 P04792 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
KCNJ1 P48048 1/20 0.34

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
SCHEMBL30994728 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1HTTGAATHRB
SCHEMBL29423582 0.84 KMT2A (0.38) ALDH1A1L3MBTL1HTTIDO1TDP1
SCHEMBL22691421 0.84 KMT2A (0.38) ALDH1A1L3MBTL1HTTIDO1TDP1
SCHEMBL15508925 0.83 HTT (0.49) ALDH1A1L3MBTL1HTTGAAAMY1A
SCHEMBL2103775 0.82 HTT (0.44) S1PR4ALDH1A1L3MBTL1HTTGAA
SCHEMBL30994649 0.81 MAPT (0.38) ALDH1A1HTTGAACYP1A2KMT2A
SCHEMBL21979353 0.81 IDO1 (0.36) ALDH1A1L3MBTL1HTTIDO1TDP1
SCHEMBL21979436 0.81 HSD17B10 (0.45) ALDH1A1HTTKMT2ASMN1; SMN2LMNA
SCHEMBL17494979 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1HTTIDO1AMY1A
SCHEMBL25395468 0.81 CYP19A1 (0.33) S1PR4ALDH1A1L3MBTL1HTTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043316-A1 PROCESS FOR OBTAINING ANTI-INFLAMMATORY COMPOUNDS, SAID COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USE OF SAID COMPOUNDS AND OF THE PHARMACEUTICAL COMPOSITION UNIVERSIDADE ESTADUAL DE CAMPINAS (BR) 2025-03-06 WO disclosed