SCHEMBL17375324

SCHEMBL17375324

CC(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.41
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR8 Q9NR97 1/20 0.34
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RIPK1 Q13546 1/20 0.33
IDO1 P14902 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL31139004 0.87 SMYD2 (0.40) SMYD2HTTCYP3A4SMN1; SMN2RIPK1
SCHEMBL31139029 0.87 SMYD2 (0.40) SMYD2HTTCYP3A4SMN1; SMN2RIPK1
SCHEMBL10004139 0.87 SMYD2 (0.40) SMYD2HTTCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL6660786 0.87 SMYD2 (0.40) SMYD2HTTCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL224828 0.87 SMYD2 (0.40) SMYD2HTTCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL31276323 0.87 SMYD2 (0.40) SMYD2HTTCYP3A4SMN1; SMN2RIPK1
SCHEMBL9841198 0.85 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2RIPK1
SCHEMBL4402734 0.85 SMYD2 (0.41) SMYD2HTTCYP3A4SMN1; SMN2RIPK1
SCHEMBL17913545 0.84 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2RIPK1
SCHEMBL14481194 0.84 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2RIPK1

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-3157929-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Tocopherx, Inc. (US) 2017-04-26 EP disclosed
WO-2015196759-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 WO disclosed