SCHEMBL5884800

SCHEMBL5884800

C=C(CC(C)(C)c1ccccc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.44
KCNN4 O15554 1/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.44
ME2 P23368 2/20 0.42
ME1 P48163 2/20 0.42
ME3 Q16798 2/20 0.42
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 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
SCHEMBL5884983 0.84 MAPT (0.50) ALDH1A1CYP2C19HIF1AHTTME2
SCHEMBL3534906 0.83 KCNN4 (0.47) ALDH1A1CYP2C19KCNN4HIF1AHTT
SCHEMBL9799303 0.82 CYP2C19 (0.50) ALDH1A1CYP2C19KCNN4HIF1AHTT
SCHEMBL23657400 0.82 KCNN4 (0.43) ALDH1A1CYP2C19KCNN4HIF1ATSHR
SCHEMBL14102277 0.79 ALDH1A1 (0.45) ALDH1A1CYP2C19KCNN4HIF1AHTT
SCHEMBL156185 0.79 KCNN4 (0.50) ALDH1A1CYP2C19KCNN4HIF1AHTT
SCHEMBL28045287 0.76 PPARG (0.36) ALDH1A1CYP2C19KCNN4HIF1AMAPT
SCHEMBL7739108 0.76 CYP2C19 (0.61) ALDH1A1CYP2C19KCNN4HIF1AHTT
SCHEMBL28864314 0.76 TAAR1 (0.50) ALDH1A1CYP2C19HIF1AHTTME2
Acetic Acid SCHEMBL6405973 0.76 KCNN4 (0.47) ALDH1A1CYP2C19KCNN4HIF1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022762-B2 Method of emulsion polymerization AGFA-GEVAERT (BE) 2006-04-04 US disclosed
US-20060009574-A1 Method of emulsion polymerization AERT HUUB V 2006-01-12 US disclosed
US-20040176527-A1 Method of emulsion polymerization BARCLAYS BANK PLC, AS COLLATERAL AGENT 2004-09-09 US disclosed
EP-1217010-B1 Method of emulsion polymerization AGFA GEVAERT (BE) 2004-08-18 EP disclosed
EP-1217010-A1 Method of emulsion polymerization Agfa-Gevaert (BE) 2002-06-26 EP disclosed