SCHEMBL6907003

SCHEMBL6907003

COc1cccc2c1Cc1cccc(OC)c1C2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.62
DRD3 P35462 4/20 0.62
DRD1 P21728 1/20 0.62
DRD5 P21918 1/20 0.62
HTR2A P28223 1/20 0.53
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
DRD4 P21917 2/20 0.47
HTR1A P08908 2/20 0.45
ACHE P22303 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL3583671 0.98 DRD2 (0.61) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL28263467 0.94 DRD2 (0.67) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL6901761 0.93 DRD2 (0.56) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL2641069 0.86 DRD2 (0.50) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL18489460 0.85 DRD2 (0.50) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL8854649 0.81 DRD2 (0.54) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL7061674 0.81 DRD2 (0.46) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL6901862 0.81 DRD1 (0.58) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL14116130 0.80 DRD2 (0.53) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL19133719 0.79 DRD2 (0.58) DRD2DRD3DRD1DRD5CHRM2

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed