SCHEMBL16683053

SCHEMBL16683053

CCC(C)c1cccc(OC(CC(C)(C)C)OC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.34
DUT P33316 3/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL15945466 0.86 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL17175303 0.84 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL16081326 0.84 FFAR1 (0.34) POLBDUT
SCHEMBL14667769 0.84 PDE4A (0.42) BCHEPDE4A
SCHEMBL16247805 0.84 BCHE (0.38) BCHEPOLBDUTHDAC4HDAC2
SCHEMBL6721652 0.83 BCHE (0.40) BCHEPOLBDUTHDAC4HDAC2
SCHEMBL16683116 0.77 ALDH1A1 (0.36)
SCHEMBL10182805 0.77 POLB (0.36) POLBHDAC4HDAC2HDAC8SLC6A2
SCHEMBL18713484 0.76 DUT (0.46) DUTHDAC4HDAC2HDAC8PDE4A
SCHEMBL16865924 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150293446-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION, RESIST FILM USING THE SAME, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-10-15 US disclosed
US-20150118628-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM, METHOD OF FORMING PATTERN, PROCESS FOR MANUFACTURING SEMICONDUCTOR DEVICE, AND SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2015-04-30 US disclosed