SCHEMBL6953102

SCHEMBL6953102

COC(=O)c1cccc2cc3c(O)cccc3cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
GRIN2D O15399 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 3/20 0.46

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
SCHEMBL19733167 0.91 ALDH1A1 (0.56) LMNATSHRCA12CA1CA2
SCHEMBL18906153 0.88 LMNA (0.55) LMNATSHRCA12CA1CA2
SCHEMBL10353318 0.88 GRIN2D (0.57) LMNATSHRCA12CA1CA2
SCHEMBL2239095 0.87 GRIN2D (0.65) LMNATSHRCA12CA1CA2
SCHEMBL1164706 0.86 ALDH1A1 (0.61) LMNATSHRCA1CA2CA9
SCHEMBL29403597 0.86 ALDH1A1 (0.54) LMNATSHRCA12CA1CA2
SCHEMBL6761980 0.86 ALDH1A1 (0.54) LMNATSHRCA12CA1CA2
SCHEMBL25189907 0.85 ALDH1A1 (0.59) LMNATSHRCA1CA2CA9
SCHEMBL17137307 0.83 KDM4E (0.57) LMNATSHRCA12CA1CA2
SCHEMBL27370762 0.83 KDM4E (0.50) LMNATSHRCA12CA1CA2

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
EP-0798295-B1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-02-26 EP disclosed
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 US disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP disclosed