SCHEMBL6906470

SCHEMBL6906470

COc1cccc2c1Cc1c(ccc(C(=O)O)c1OC)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6901761 0.78 DRD2 (0.56) MAPTDRD2DRD1DRD5DRD3
SCHEMBL29603325 0.73 MAPT (0.59) MAPTTDP1CA12CA1CA2
SCHEMBL152563 0.73 MAPT (0.59) MAPTTDP1CA12CA1CA2
SCHEMBL6907003 0.73 DRD2 (0.62) DRD2DRD1DRD5DRD3CA12
SCHEMBL9191986 0.72 MAPT (0.58) MAPTTDP1CA12CA1CA2
SCHEMBL28776139 0.72 MAPT (0.58) MAPTTDP1CA12CA1CA2
SCHEMBL27617245 0.72 MAPT (0.58) MAPTTDP1CA12CA1CA2
Hydrochloric Acid SCHEMBL4229730 0.72 MAPT (0.58) MAPTTDP1CA12CA1CA2
SCHEMBL28263467 0.71 DRD2 (0.67) MAPTDRD2DRD1DRD5DRD3
SCHEMBL833488 0.71 TDP1 (0.45) MAPTTDP1ALDH1A1HSD17B10

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