SCHEMBL28083249

SCHEMBL28083249

CCCCCN(C(C)C)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.39
ADH1C P00326 4/20 0.38
ADH4 P08319 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADH1B P00325 1/20 0.37
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
DNM1 Q05193 3/20 0.32
NAAA Q02083 2/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL39288 0.94 ADH1A (0.40) ADH1AADH1CADH4CYP1A2ADH1B
SCHEMBL17914487 0.86 ADH1A (0.47) ADH1AADH1CADH1BDRD2DRD3
SCHEMBL17914491 0.84 ADH1A (0.45) ADH1AADH1CADH1BDRD2DRD3
SCHEMBL27420655 0.81 ADH1A (0.37) ADH1AADH1CADH1B
SCHEMBL735434 0.81 ADH1A (0.37) ADH1AADH1CADH1B
SCHEMBL14355686 0.81 ADH1A (0.37) ADH1AADH1CADH1BDRD2DRD3
SCHEMBL10710852 0.80 ADH1A (0.39) ADH1AADH1CADH4CYP1A2THRA
SCHEMBL736907 0.78 ADH1B (0.34) ADH1AADH1CADH1B
SCHEMBL19879075 0.78 ADH1A (0.37) ADH1AADH1CCYP1A2ADH1BTHRA
SCHEMBL17914492 0.78 ADH1A (0.41) ADH1AADH1CADH1B

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
CN-103443171-B Polyethylene film 伊奎斯塔化学有限公司 2016-08-17 CN disclosed