SCHEMBL8145693

SCHEMBL8145693

Oc1c(F)cc(C(CCC(c2cc(F)c(O)c(F)c2)c2cc(F)c(O)c(F)c2)c2cc(F)c(O)c(F)c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
GRIN2B Q13224 1/20 0.35
GRM8 O00222 3/20 0.35
GRM6 O15303 3/20 0.35
GRM7 Q14831 3/20 0.35
GRM4 Q14833 3/20 0.35
SHBG P04278 1/20 0.33
MEP1B Q16820 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HKDC1 Q2TB90 1/20 0.31
ERN1 O75460 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL8147974 0.85 ADRB2 (0.40) ADRB2ADRB1ADRB3GRIN2BGRM8
SCHEMBL1597063 0.76 CYP1A2 (0.48) ADRB2ADRB1ADRB3SHBGMEP1B
SCHEMBL2299572 0.75 SHBG (0.55) ADRB1ADRB3GRIN2BSHBGESR1
SCHEMBL3279640 0.74 ADRB2 (0.38) ADRB2ADRB1ADRB3SHBGMEP1B
SCHEMBL7916578 0.72 ADRB2 (0.46) ADRB2ADRB1ADRB3SHBGESR1
SCHEMBL1596134 0.70 CA1 (0.48) SHBGESR1ESR2
SCHEMBL1596154 0.70 SHBG (0.37) ADRB2ADRB1ADRB3SHBGESR1
SCHEMBL25147626 0.70 ADRB2 (0.44) ADRB2ADRB1ADRB3SHBGHKDC1
SCHEMBL836444 0.70 SLC6A2 (0.41) GRIN2BHKDC1
SCHEMBL20831638 0.69 ADRB2 (0.37) ADRB2ADRB1ADRB3SHBGESR1

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-6147169-A LOW TEMPERATURE CURING MIXTURE OF REACTIVE BASE RESIN AND A CLATHRATE COMPRISING A TETRAKISPHENOL HOSTING A CURING AGENT OR CURING CATALYST; STORAGE STABILITY, CORROSION RESISTANCE, ADHESION KANSAI PAINT CO., LTD. (JP) 2000-11-14 US disclosed