SCHEMBL1745156

SCHEMBL1745156

CC(NP(=O)(Cl)Oc1ccccc1)C(=O)OCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 14/20 0.45
ALDH1A1 P00352 1/20 0.41
ANPEP P15144 1/20 0.41
LAP3 P28838 1/20 0.41
ELANE P08246 2/20 0.40
PRTN3 P24158 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17378451 1.00 BTN3A1 (0.45) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL10208219 1.00 BTN3A1 (0.45) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL16015981 0.89 BTN3A1 (0.50) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL13921733 0.87 BTN3A1 (0.45) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL784174 0.87 BTN3A1 (0.43) BTN3A1ALDH1A1ELANEPRTN3
SCHEMBL17864202 0.87 BTN3A1 (0.45) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL23992573 0.86 BTN3A1 (0.57) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL21158533 0.86 BTN3A1 (0.57) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL14466574 0.86 BTN3A1 (0.57) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL807682 0.86 BTN3A1 (0.57) BTN3A1ALDH1A1ANPEPLAP3ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102215-B1 4'-DIFLUOROMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF INFLUENZA RNA REPLICATION RIBOSCIENCE LLC (US) 2021-06-16 EP disclosed
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO disclosed