SCHEMBL22824355

SCHEMBL22824355

CCCCN/C=C\C=C(\C)C=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.47
ADH1A P07327 3/20 0.47
ADH7 P40394 3/20 0.47
ADH1C P00326 2/20 0.47
EPHX1 P07099 3/20 0.41
ADH4 P08319 1/20 0.41
PTPN1 P18031 1/20 0.33
TSHR P16473 3/20 0.32
ALOX15 P16050 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
SCHEMBL28153306 0.76 ADH1B (0.54) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL17227566 0.71 EPHX1 (0.47) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL8581471 0.71 PTPN1 (0.46) PTPN1TSHRALOX15
SCHEMBL8581469 0.71 PTPN1 (0.46) PTPN1TSHRALOX15
SCHEMBL14034561 0.70 EPHX1 (0.38) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL11775863 0.70 EPHX1 (0.60) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL11775859 0.70 EPHX1 (0.60) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL18965744 0.70 ADH1B (0.60) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL28179459 0.69 EPHX1 (0.59) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL28218181 0.69 EPHX1 (0.59) ADH1BADH1AADH7ADH1CEPHX1

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
WO-2020252760-A1 CONTROLLABLE LONG PERSISTENT LUMINESCENT MATERIAL 复旦大学 2020-12-24 WO disclosed