SCHEMBL13466587

SCHEMBL13466587

CCOC(=O)c1ccc2ccccc2c1/C(=C/C(C)C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 3/20 0.48
▸ CDC25A P30304 1/20 0.45
▸ CDC25C P30307 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL29856064 0.80 CDC25B (0.61) CDC25BCDC25ACDC25CKDM4EALDH1A1
SCHEMBL560585 0.80 CDC25B (0.61) CDC25BCDC25ACDC25CKDM4EALDH1A1
Butane SCHEMBL7938601 0.79 CDC25B (0.60) CDC25BCDC25ACDC25CKDM4EALDH1A1
SCHEMBL18261813 0.78 CDC25B (0.62) CDC25BCDC25ACDC25CKDM4EALDH1A1
SCHEMBL14089284 0.78 ALDH1A1 (0.46) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL12425991 0.77 CDC25B (0.55) CDC25BCDC25ACDC25CKDM4EALDH1A1
SCHEMBL3680359 0.74 CDC25B (0.57) CDC25BCDC25ACDC25CKDM4EALDH1A1
SCHEMBL22610038 0.73 CDC25B (0.63) CDC25BCDC25ACDC25CKDM4EALDH1A1
SCHEMBL13880496 0.73 CDC25B (0.63) CDC25BCDC25ACDC25CKDM4EALDH1A1
SCHEMBL11056026 0.72 CDC25B (0.55) CDC25BCDC25ACDC25CKDM4EALDH1A1

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-1964861-B1 ACETYLENE-BASED POLYMER NAT INST OF ADVANCED IND SCIEN (JP) 2012-10-17 — — EP disclosed
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