SCHEMBL18967347

SCHEMBL18967347

CCC(CCCNC=O)C(C)C=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.47
ADH1A P07327 5/20 0.47
ADH7 P40394 4/20 0.47
ADH1C P00326 4/20 0.47
ADH4 P08319 2/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9147679 0.78 TSHR (0.52) ADH1BADH1AADH7ADH1CADH4
SCHEMBL16297561 0.76 ADH1B (0.54) ADH1BADH1AADH7ADH1CADH4
SCHEMBL7598223 0.73 TSHR (0.39) ADH1BADH1AADH7ADH1CADH4
SCHEMBL271073 0.73
SCHEMBL5365130 0.72
SCHEMBL25690913 0.71 ADH1B (0.64) ADH1BADH1AADH7ADH1CADH4
SCHEMBL27327179 0.70 ADH1B (0.50) ADH1BADH1AADH7ADH1CADH4
SCHEMBL6756345 0.70
SCHEMBL8186479 0.69 ADH1B (0.54) ADH1BADH1AADH7ADH1CADH4
SCHEMBL11568445 0.67 ADH1B (0.56) ADH1BADH1AADH7ADH1CADH4

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-2017098328-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHAMACEUTICALS, INC. (BB) 2017-06-15 WO disclosed