SCHEMBL7915423

SCHEMBL7915423

CC1=C(C(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 7/20 0.48
CDC25A P30304 5/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
S100A4 P26447 6/20 0.46
ELANE P08246 1/20 0.44
MAP2K7 O14733 3/20 0.43
TOP1 P11387 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGES O14684 3/20 0.42
ALOX5 P09917 3/20 0.42
KDM4E B2RXH2 2/20 0.41
APAF1 O14727 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APEX1 P27695 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL12761943 0.79 AURKA (0.48) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL22874151 0.77 CDC25B (0.54) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL29941466 0.75 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL571026 0.75 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL5822470 0.73 CDC25B (0.50) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL9549824 0.73 SLC6A2 (0.59) KDM4EMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL13656185 0.73 LMNA (0.45) CDC25BCDC25AAURKAAURKBS100A4
Water SCHEMBL8664586 0.73 CDC25B (0.65) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL31238243 0.72 CDC25B (0.48) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL6681616 0.72 CDC25B (0.48) CDC25BCDC25AAURKAAURKBS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed