SCHEMBL30583121

SCHEMBL30583121

CCCCC[C@H](C)NC=O

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.96
ADH1C P00326 4/20 0.96
ADH1A P07327 4/20 0.96
ADH7 P40394 3/20 0.96
ADH4 P08319 2/20 0.96
EPHX1 P07099 1/20 0.43
OPRM1 P35372 1/20 0.41
MAPT P10636 2/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
CA1 P00915 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FDPS P14324 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL5003472 1.00 ADH1B (0.96) ADH1BADH1CADH1AADH7ADH4
SCHEMBL277250 1.00 ADH1B (0.96) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11076771 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL20539967 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11077984 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL3960294 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11078050 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL2112386 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL9797220 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11331034 0.98 ADH1B (1.00) ADH1BADH1CADH1AADH7ADH4

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
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed