SCHEMBL17667239

SCHEMBL17667239

c1ccc(-c2ccccc2C2CCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CYP11B2 P19099 3/20 0.40
BRD4 O60885 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
USP30 Q70CQ3 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL23706387 0.83 TSHR (0.48) ADRA2AADRA2BADRA2CCYP11B2BRD4
SCHEMBL1538935 0.79 DRD2 (0.52) ADRA2AADRA2BADRA2CCHRNB2CHRNA4
SCHEMBL1256101 0.78 ADRA2A (0.41) ADRA2AADRA2BADRA2CCYP11B2BRD4
SCHEMBL28759921 0.75 KDM1A (0.45) ADRA1DADRA1AHTR2BHTR2CALDH1A1
SCHEMBL16393627 0.74 BRD4 (0.51) ADRA2AADRA2BADRA2CCYP11B2BRD4
Hydrogen Sulfide SCHEMBL27539552 0.72 BRD4 (0.50) ADRA2AADRA2BADRA2CCYP11B2BRD4
Ammonia Solution, Strong SCHEMBL27714733 0.72 BRD4 (0.50) ADRA2AADRA2BADRA2CCYP11B2BRD4
SCHEMBL10789751 0.71 PTGS2 (0.60) ADRA2ACYP11B2BRD4CHRNB2CHRNA4
SCHEMBL29433489 0.71 PTGS2 (0.60) ADRA2ACYP11B2BRD4CHRNB2CHRNA4
SCHEMBL28228917 0.71 PTGS2 (0.56) ADRA2AADRA2BADRA2CCYP11B2BRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9685597-B2 Curable composition for sealing optical semiconductor DAICEL CORPORATION (JP) 2017-06-20 US disclosed
US-20160126431-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR DAICEL CORPORATION (JP) 2016-05-05 US disclosed
EP-3006481-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR Daicel Corporation (JP) 2016-04-13 EP disclosed