SCHEMBL5013869

SCHEMBL5013869

CCCCCCCCCCCCc1ccc2c(c1)-c1cc(Br)cc3cccc-2c13

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.45
CYP1B1 Q16678 1/20 0.44
LPL P06858 6/20 0.42
LIPG Q9Y5X9 6/20 0.42
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSPD1 P10809 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL14092907 0.81 GPR3 (0.40) GPR3LPLLIPG
SCHEMBL27684714 0.81 GPR3 (0.44) GPR3LPLLIPGESR1ADRA2A
SCHEMBL27944146 0.77 GPR3 (0.63) GPR3LPLLIPGESR1ADRA2A
SCHEMBL5012391 0.75 CYP1B1 (0.40) GPR3CYP1B1LIPGNPSR1KDM4E
SCHEMBL8987635 0.72 GPR3 (0.57) GPR3LPLLIPGESR1ADRA2A
SCHEMBL27744086 0.71 GPR3 (0.41) GPR3LPLLIPGESR1ADRA2A
SCHEMBL4737345 0.70 GPR3 (0.54) GPR3LPLLIPGESR1ADRA2A
SCHEMBL5011003 0.70 MAPK1 (0.65) CYP1B1NPSR1KDM4EALDH1A1TP53
SCHEMBL728651 0.70 RAB9A (0.41) GPR3ESR1ADRA2AADORA3TACR2
SCHEMBL2403161 0.70 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2

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