SCHEMBL19957009

SCHEMBL19957009

C=C/C=C1/CC(C)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
DYRK1B Q9Y463 3/20 0.45
CLK1 P49759 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 1/20 0.42
DYRK2 Q92630 1/20 0.42
MAOA P21397 11/20 0.36
MAOB P27338 5/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
POLL Q9UGP5 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL22504129 0.78 SMN1; SMN2 (0.34) DYRK1ADYRK1BCLK1SMN1; SMN2
SCHEMBL663387 0.77
SCHEMBL980374 0.77
SCHEMBL1904974 0.77
SCHEMBL22694016 0.75
SCHEMBL21131580 0.74 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL24934339 0.72 DYRK1A (0.45) DYRK1ADYRK1BCLK1SMN1; SMN2PIK3CA
SCHEMBL12676122 0.72 DYRK1A (0.45) DYRK1ADYRK1BCLK1SMN1; SMN2PIK3CA
SCHEMBL10186549 0.72 DYRK1A (0.45) DYRK1ADYRK1BCLK1SMN1; SMN2PIK3CA
SCHEMBL19957021 0.72 DYRK1A (0.45) DYRK1ADYRK1BCLK1SMN1; SMN2PIK3CA

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-3293242-A1 COMPOSITIONS COMPRISING HFC-1234YF The Chemours Company FC, LLC (US) 2018-03-14 EP disclosed