SCHEMBL5019769

SCHEMBL5019769

CCCCOC(=O)CNP(C)(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
BTN3A1 O00481 3/20 0.45
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 2/20 0.42
FAAH O00519 2/20 0.41

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
SCHEMBL14283710 0.86 BTN3A1 (0.57) LMNABTN3A1TSHRLTA4H
SCHEMBL13622273 0.86 BTN3A1 (0.44) BTN3A1TSHRTDP1L3MBTL1POLB
SCHEMBL18597500 0.82 BTN3A1 (0.54) LMNABTN3A1POLBMEN1KMT2A
SCHEMBL19187048 0.81 BTN3A1 (0.50) BTN3A1TDP1
SCHEMBL19187124 0.80 LMNA (0.44) LMNABTN3A1MEN1KMT2A
SCHEMBL21581139 0.80 BTN3A1 (0.40) LMNABTN3A1TSHRTDP1L3MBTL1
SCHEMBL15765579 0.78 BTN3A1 (0.46) LMNABTN3A1TSHRTDP1L3MBTL1
SCHEMBL13652726 0.78 BTN3A1 (0.46) LMNABTN3A1TSHRTDP1L3MBTL1
SCHEMBL18583838 0.77 BTN3A1 (0.58) LMNABTN3A1TSHR
SCHEMBL20059011 0.77 BTN3A1 (0.38) BTN3A1POLBFAAH

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-2696679-B1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
WO-2012062870-A1 URACYL SPIROOXETANE NUCLEOSIDE PHOSPHORAMIDATES JANSSEN PRODUCTS, LP (US) 2012-05-18 WO disclosed
WO-2012062869-A1 URACYL SPIROOXETANE NUCLEOSIDE PHOSPHORAMIDATES JANSSEN PRODUCTS, LP (US) 2012-05-18 WO disclosed