SCHEMBL1473328

SCHEMBL1473328

C=CCOc1c2cccc1Cc1cccc(c1OCC=C)Cc1cccc(c1OCC=C)Cc1cccc(c1OCC=C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.48
ADRA2A P08913 3/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
CXCR5 P32302 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR4 O00206 1/20 0.37
LGALS1 P09382 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR1A P08908 1/20 0.35
PTPRC P08575 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2108268 0.87 CD69 (0.44) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL1724552 0.85 CD69 (0.49) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL8556505 0.84 GSTA1 (0.41) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL1398342 0.76 HSD17B10 (0.37) CD69ADRA2AADRA2BADRA2CCXCR5
SCHEMBL1473043 0.75 ADRA2A (0.35) ADRA2AADRA2BADRA2CHPGDTSHR
SCHEMBL1628363 0.74 TSHR (0.50) ADRA2AADRA2BADRA2CHPGDTSHR
SCHEMBL10648647 0.72 KMT2A (0.47) ADRA2AADRA2BADRA2CCXCR5HPGD
SCHEMBL5079771 0.72 SCN4A (0.47) ADRA2AADRA2BADRA2CCXCR5TSHR
SCHEMBL1858805 0.72 CA12 (0.39) ADRA2AADRA2BADRA2CCXCR5HPGD
SCHEMBL16213529 0.72 MAPT (0.39) ADRA2AADRA2BADRA2CHPGDTSHR

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-7915438-B1 Solid phase host compositions NORTHWESTERN UNIVERSITY (US) 2011-03-29 US disclosed
US-7271259-B1 Solid phase host compositions NORTHWESTERN UNIVERSITY (US) 2007-09-18 US disclosed