SCHEMBL13639694

SCHEMBL13639694

CCOC(=O)c1cccc(-c2cc(C)cc(OC)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
CDC25C P30307 1/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
GALR1 P47211 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4174579 0.93 CYP1A1 (0.54) CDC25ACDC25BCDC25CHPGDTP53
SCHEMBL2998008 0.85 HPGD (0.64) HPGDLMNATSHR
SCHEMBL5863201 0.84 TP53 (0.57) HPGDTP53POLBGALR1TDP1
SCHEMBL29617015 0.84 TP53 (0.62) HPGDTP53POLBGALR1
SCHEMBL4193217 0.82 TP53 (0.61) HPGDTP53POLBGALR1
SCHEMBL12581547 0.81 NPC1 (0.56) CDC25ACDC25BCDC25CHPGDTP53
SCHEMBL5863231 0.80 TP53 (0.56) HPGDTP53POLBGALR1LMNA
SCHEMBL4114637 0.80 BRAF (0.61) CDC25BHPGDTP53POLB
SCHEMBL12553322 0.80 NPC1 (0.57) CDC25BHPGDTP53POLBGALR1
SCHEMBL25014570 0.80 TDP1 (0.48) HPGDTP53POLBTDP1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948146-B1 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-11-07 EP disclosed