SCHEMBL6901862

SCHEMBL6901862

COc1ccc(OC)c2c1Cc1ccccc1C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.58
DRD5 P21918 3/20 0.58
DRD2 P14416 3/20 0.58
DRD3 P35462 3/20 0.58
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR2A P28223 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL28263467 0.85 DRD2 (0.67) DRD1DRD5DRD2DRD3MAPT
SCHEMBL6907003 0.81 DRD2 (0.62) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL28305794 0.80 PTGS2 (0.46) DRD1DRD5DRD2DRD3MAPT
Ammonia Solution, Strong SCHEMBL3583671 0.79 DRD2 (0.61) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL8854649 0.77 DRD2 (0.54) DRD1DRD5DRD2DRD3MAPT
SCHEMBL6901761 0.74 DRD2 (0.56) DRD1DRD5DRD2DRD3MAPT
SCHEMBL1614178 0.73 DRD2 (0.40) DRD1DRD5DRD2DRD3MAPT
SCHEMBL6583999 0.73 KDM4E (0.52) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL5754978 0.73 MAOA (0.53) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL7980286 0.73 ALDH1A1 (0.54) MAPTALDH1A1KDM4EMEN1NPC1

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