SCHEMBL5013795

SCHEMBL5013795

CCCCCCCCCCCCCCCCCCc1ccc2cc3c(ccc4cc5ccccc5cc43)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
BCHE P06276 2/20 0.47
GPR3 P46089 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4759062 0.93 SIGMAR1 (0.54) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL22288179 0.93 SIGMAR1 (0.54) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL4048750 0.93 SIGMAR1 (0.54) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL6885296 0.93 SIGMAR1 (0.54) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL3355324 0.93 SIGMAR1 (0.54) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL6889827 0.93 SIGMAR1 (0.54) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL5011068 0.93 SIGMAR1 (0.54) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL2360369 0.92 SIGMAR1 (0.56) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL598951 0.88 SIGMAR1 (0.61) SIGMAR1BCHEGPR3CYP1A2CYP2A6
SCHEMBL9299473 0.88 SIGMAR1 (0.61) SIGMAR1BCHEGPR3CYP1A2CYP2A6

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
CN-1950382-A Organosilanes, process for production of the same, and use thereof SHARP KK (JP) 2007-04-18 CN disclosed