SCHEMBL4717867

SCHEMBL4717867

Fc1ccc(C23CC4CC(CC(CCNCc5ccccc5)(C4)C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.47
EPHX2 P34913 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAD52 P43351 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4715003 0.92 GRIN2D (0.48) EPHX2LMNAALDH1A1MEN1KMT2A
SCHEMBL22530506 0.84 LMNA (0.44) EPHX2LMNAALDH1A1MEN1KMT2A
SCHEMBL4716912 0.84 SPHK2 (0.52) OPRM1EPHX2LMNAALDH1A1MEN1
SCHEMBL4715282 0.78 EPHX2 (0.64) EPHX2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1677932 0.77 EPHX2 (0.62) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL4719213 0.76 GRIN2D (0.50) EPHX2LMNAALDH1A1MEN1KMT2A
SCHEMBL4717890 0.75 MEN1 (0.50) LMNAALDH1A1MEN1KMT2ARAD52
SCHEMBL4717042 0.75 LMNA (0.49) LMNAALDH1A1MEN1KMT2ARAD52
SCHEMBL4715435 0.74 LMNA (0.57) EPHX2LMNAALDH1A1MEN1KMT2A
SCHEMBL1548414 0.74 MEN1 (0.47) OPRM1EPHX2LMNAALDH1A1MEN1

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-3209290-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION Redhill Biopharma Ltd. (IL) 2017-08-30 EP disclosed
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO disclosed