SCHEMBL1742873

SCHEMBL1742873

CC[C@H](O)[C@@H](C)c1ccccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
DRD2 P14416 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
HIF1A Q16665 1/20 0.31
NISCH Q9Y2I1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BLM P54132 1/20 0.30
ALOX15 P16050 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
SCHEMBL7438530 0.82 HTR2A (0.32) KDM4EKMT2AADRB2ADRB1CYP2D6
SCHEMBL30856497 0.82 HTR2A (0.32) KDM4EKMT2AADRB2ADRB1CYP2D6
SCHEMBL15242458 0.78 P2RX3 (0.43) TSHRKMT2AL3MBTL1LMNAADRB2
SCHEMBL18805724 0.77 P2RX7 (0.34)
SCHEMBL16113094 0.77 P2RX3 (0.32)
SCHEMBL29122214 0.75 TSHR (0.43) TSHRKDM4EKMT2AL3MBTL1LMNA
SCHEMBL29272808 0.74 ADRB2 (0.33) ADRB2ADRB1
SCHEMBL1200658 0.74 TSHR (0.37) TSHRALDH1A1
SCHEMBL30556213 0.72 CA1 (0.38) TSHRKMT2ADRD2ALDH1A1SMN1; SMN2
SCHEMBL3249451 0.72 P2RX7 (0.34) KDM4EKMT2ALMNAADRB2ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed
WO-2010084300-A2 STEM CELL CULTURE METHODS ITI SCOTLAND LIMITED (GB) 2010-07-29 WO disclosed