SCHEMBL1898783

SCHEMBL1898783

C=COC(=O)c1ccccc1[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
ELANE P08246 2/20 0.34
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LIG1 P18858 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1897333 0.84 CYP3A4 (0.40) CYP3A4POLBTSHRHSD17B10ALDH1A1
SCHEMBL1896097 0.77 CYP3A4 (0.40) CYP3A4TSHRHSD17B10ALDH1A1LMNA
SCHEMBL15175 0.76 CYP3A4 (0.55) CYP3A4NPC1TSHRHSD17B10ALDH1A1
SCHEMBL11049262 0.75 ALDH1A1 (0.48) POLBMAPTTSHRHSD17B10ALDH1A1
SCHEMBL246897 0.74 TDP1 (0.40) CYP3A4ELANEPOLBMAPTNPSR1
Ethylene SCHEMBL29113890 0.74 CYP3A4 (0.53) CYP3A4NPC1TSHRHSD17B10ALDH1A1
Acetic Acid SCHEMBL27451410 0.73 CYP3A4 (0.48) CYP3A4TSHRHSD17B10ALDH1A1CYP1A2
SCHEMBL1899943 0.73 CYP3A4 (0.36) CYP3A4ELANETSHRHSD17B10ALDH1A1
SCHEMBL1316903 0.72 HPGD (0.51) NPC1RAB9AMAPTNPSR1TSHR
SCHEMBL182408 0.72 NPC1 (0.46) CYP3A4NPC1RAB9AMAPTTSHR

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
US-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed