SCHEMBL20404152

SCHEMBL20404152

CC(C)(C)OC(=O)N1CCC(F)(F)CC1C=N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H2 P55055 3/20 0.33
RXRA P19793 2/20 0.33
NR1H3 Q13133 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
HSD11B1 P28845 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL15229449 0.87 EPHX2 (0.35) HSD17B10EPHX2NR1H2RXRANR1H3
SCHEMBL22838030 0.86 HSD17B10 (0.34) HSD17B10EPHX2NR1H2RXRANR1H3
SCHEMBL24529327 0.83 NR1H2 (0.34) HSD17B10EPHX2NR1H2RXRANR1H3
SCHEMBL15054838 0.80 EPHX2 (0.37) HSD17B10EPHX2KDM1ASMN1; SMN2USP2
SCHEMBL16352853 0.79 EPHX2 (0.35) HSD17B10EPHX2NR1H2RXRANR1H3
SCHEMBL26151530 0.78 EPHX2 (0.36) HSD17B10EPHX2NR1H2RXRANR1H3
SCHEMBL27181462 0.78
SCHEMBL24529328 0.78
SCHEMBL10215488 0.77 HSD17B10 (0.39) HSD17B10EPHX2LMNANPSR1KDM1A
SCHEMBL19792181 0.77 HSD17B10 (0.34) HSD17B10EPHX2LMNANPSR1KDM1A

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