SCHEMBL5408505

SCHEMBL5408505

CCC(CC)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.55
CYP2D6 P10635 13/20 0.53
SLC6A2 P23975 12/20 0.53
SLC6A4 P31645 12/20 0.53
SLC6A3 Q01959 12/20 0.53
KCNH2 Q12809 10/20 0.53
CYP3A4 P08684 10/20 0.53
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AOC3 Q16853 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL19174399 0.94 UGT2B7 (0.48) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4264204 0.88 UGT2B7 (0.48) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7505678 0.85 UGT2B7 (0.46) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL18119976 0.85 SLC6A2 (0.56) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3665811 0.85 CYP2D6 (0.69) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10579676 0.84 NR1I2 (0.48) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20691810 0.83 UGT2B7 (0.52) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10584879 0.82 NR1I2 (0.50) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10581085 0.82 NR1I2 (0.50) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10581066 0.82 NR1I2 (0.50) UGT2B7CYP2D6SLC6A2SLC6A4SLC6A3

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
US-7192684-B2 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20040067436-A1 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-04-08 US disclosed