SCHEMBL20404159

SCHEMBL20404159

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
CES2 O00748 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
SCHEMBL10007248 0.72
SCHEMBL10007250 0.72
SCHEMBL20404154 0.70 CES2 (0.34) CES2
SCHEMBL10303794 0.60 TSHR (0.30) TSHR
SCHEMBL10007577 0.60 TSHR (0.30) TSHR
SCHEMBL14174369 0.59
SCHEMBL3303780 0.56 CES2 (0.47) CES2
SCHEMBL1361112 0.55 MEN1 (0.44) ALDH1A1
Alcohol SCHEMBL10550475 0.53 CNR2 (0.39) TSHR
SCHEMBL21499078 0.53 CNR2 (0.41) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
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