SCHEMBL20404154

SCHEMBL20404154

CO/N=C1/C(C=O)C2CC1C2(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34

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
SCHEMBL10007575 0.73 TSHR (0.30)
SCHEMBL10007577 0.73 TSHR (0.30)
SCHEMBL10303794 0.73 TSHR (0.30)
SCHEMBL20404159 0.70 ALDH1A1 (0.33) CES2
SCHEMBL14174369 0.59
SCHEMBL10007250 0.59
SCHEMBL11832857 0.57 ALDH1A1 (0.33)
SCHEMBL1361112 0.55 MEN1 (0.44)
SCHEMBL10006775 0.53 CHRM2 (0.33)
SCHEMBL14484267 0.50 TSHR (0.33)

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
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed