SCHEMBL5516451

SCHEMBL5516451

CNc1c(F)ccc(F)c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ERN1 O75460 1/20 0.35
MEP1A Q16819 1/20 0.33
MEP1B Q16820 1/20 0.33
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALB P02768 1/20 0.31
GAA P10253 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
SCHEMBL5511694 0.82 ADRA2A (0.33) ADRA2AADRA2BADRA2CERN1
SCHEMBL5511699 0.81 TSHR (0.38) ADRA2AADRA2BADRA2CGAA
SCHEMBL5514099 0.76 RET (0.39) ADRA2AADRA2BADRA2CMEP1BADRB1
SCHEMBL5511625 0.74 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL6137822 0.74 CES2 (0.32) ADRA2AADRA2BADRA2C
SCHEMBL5513690 0.72 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL5512079 0.71 PDE4D (0.38) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL22487793 0.71 RET (0.39) ADRA2AADRA2BADRA2CERN1MEP1A
SCHEMBL5511102 0.71 CA1 (0.32) ADRA2AADRA2BADRA2CMEP1BADRB1
SCHEMBL5512551 0.71 CA3 (0.34) ADRA2AADRA2BADRA2CMEP1BADRB1

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed