SCHEMBL28967433

SCHEMBL28967433

CCC([SiH2]c1cccc(OC)c1OC)SS

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NFE2L2 Q16236 5/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL3756325 0.79 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL23530131 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KMT2AMAPK1LMNA
SCHEMBL5423670 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL645567 0.74 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5412499 0.71 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5420234 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NFE2L2MAPK1
SCHEMBL5419649 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NFE2L2MAPK1NPC1
SCHEMBL5349215 0.71 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27518064 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5420433 0.70 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ANFE2L2

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
CN-111479866-B Polyurethane-containing tread rubber compositions and related methods 株式会社普利司通 2023-03-10 CN disclosed