SCHEMBL9566301

SCHEMBL9566301

CC(C)(C)[Si](OCc1ccccc1Cc1ccccc1CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
MMP2 P08253 4/20 0.39
MMP8 P22894 4/20 0.39
MMP12 P39900 4/20 0.39
MMP13 P45452 4/20 0.39
MMP14 P50281 4/20 0.39
MMP16 P51512 4/20 0.39
MMP9 P14780 3/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CFD P00746 1/20 0.35
CXCL8 P10145 2/20 0.35
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 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
SCHEMBL9566303 0.87 NPSR1 (0.40) CYP4A11
SCHEMBL9566295 0.85 CYP1A2 (0.42) AKR1B1NR1H4CYP4A11CFDCYP1A2
SCHEMBL9566270 0.85 CYP4A11 (0.40) CYP4A11MAPT
SCHEMBL4822404 0.80 PDCD1 (0.34) CYP4A11
SCHEMBL1564661 0.79 HTT (0.44)
SCHEMBL9566211 0.78 FFAR1 (0.40)
SCHEMBL9566315 0.78 SMYD2 (0.33)
SCHEMBL4821504 0.77 SMYD2 (0.33)
SCHEMBL9566297 0.77 IDO1 (0.33)
SCHEMBL10349815 0.77 HTT (0.37) KDM4E

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
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed