SCHEMBL6060764

SCHEMBL6060764

COc1ccc(C=C2CC(C)(C)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.56
DYRK1B Q9Y463 3/20 0.56
MAPT P10636 1/20 0.56
PRKCA P17252 6/20 0.54
RASGRP3 Q8IV61 5/20 0.54
PRKCE Q02156 4/20 0.54
CLK1 P49759 2/20 0.54
CYP1A2 P05177 1/20 0.53
MAOB P27338 1/20 0.49

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
SCHEMBL8051164 0.81 KMT2A (0.62) MAPTCYP1A2
SCHEMBL3076077 0.74 KMT2A (0.65) DYRK1ADYRK1BMAPTCLK1
SCHEMBL27260229 0.72 DYRK1A (1.00) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL9049784 0.72 DYRK1A (0.59) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL9566863 0.72 DYRK1A (1.00) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL9049778 0.72 DYRK1A (0.59) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL23633280 0.72 CYP1A2 (0.86) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL17693071 0.72 CYP1A2 (0.86) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL28494165 0.71 DYRK1A (0.57) DYRK1ADYRK1BMAPTCLK1CYP1A2
SCHEMBL6059814 0.70 DYRK1A (1.00) DYRK1ADYRK1BMAPTCLK1CYP1A2

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-1008593-B1 Benzylidene-gamma-butyrolactones, process for their production and use thereof as UV absorbers SYMRISE GMBH & CO KG (DE) 2006-05-10 EP disclosed
US-6258963-B1 DRUGS, COSMETICS HAARMANN & REIMER GMBH (DE) 2001-07-10 US disclosed
EP-1008593-A1 Benzylidene-gamma-butyrolactones, process for their production and use thereof as UV absorbers HAARMANN & REIMER GMBH (DE) 2000-06-14 EP disclosed