SCHEMBL6170850

SCHEMBL6170850

CC(C)(C)[Si](OCc1cc(C=O)cc(C(=O)O)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 6/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL6172243 0.84 MEN1 (0.38) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL21817202 0.83 MRGPRX4 (0.38) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL6173331 0.83 PTGS2 (0.55) PTGS2
SCHEMBL6173335 0.83 PTGS2 (0.55) PTGS2
SCHEMBL6170674 0.82 HIF1A (0.44) MEN1KMT2AMRGPRX4ALDH1A1KDM4E
SCHEMBL8018718 0.81 MAOA (0.47) UNGALDH1A1KDM4E
SCHEMBL9342265 0.79 RXRA (0.51) ALDH1A1RXRARXRBRXRGNR4A1
SCHEMBL304400 0.79 PPARG (0.39) ALDH1A1KDM4E
SCHEMBL21817599 0.79 MRGPRX4 (0.35) MEN1KMT2AMRGPRX4ALDH1A1
SCHEMBL7451099 0.78 UNG (0.36) UNGMEN1KMT2AMRGPRX4ALDH1A1

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
EP-1192127-B1 SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE AGOURON PHARMA (US) 2005-03-30 EP disclosed
US-6369226-B1 ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. 2002-04-09 US disclosed