SCHEMBL472185

SCHEMBL472185

C[C@@H](C(=O)OP(=O)(O)Cl)N(OC(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CMA1 P23946 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ACP3 P15309 2/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 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
SCHEMBL472186 0.87 SIGMAR1 (0.35) SIGMAR1ALDH1A1KDM4ETHRBHPGD
SCHEMBL874259 0.87 ALDH1A1 (0.33) SIGMAR1ALDH1A1KDM4EHSD17B10THRB
SCHEMBL873042 0.86 KDM4E (0.35) SIGMAR1ALDH1A1KDM4ETHRBHPGD
SCHEMBL472204 0.84 ALDH1A1 (0.36) SIGMAR1ALDH1A1KDM4ETHRBHPGD
SCHEMBL472191 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDL3MBTL1ACP3
SCHEMBL7030455 0.81 KDM4E (0.34) ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL20162548 0.81 KDM4E (0.34) ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL874869 0.80 ACP3 (0.39) ACP3KMT2A
SCHEMBL22341535 0.80 ACP3 (0.39) ACP3KMT2A
SCHEMBL12496458 0.76 CTSG (0.39) ALDH1A1KDM4EHPGDL3MBTL1ACP3

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-2412717-A1 Nucleoside aryl phosphoramidates and their use as anti-viral agents for the treatment of hepatitis C virus University College Cardiff Consultants, Ltd. (GB) 2012-02-01 EP disclosed
EP-2097434-B1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITIS C VIRUS UNIV CARDIFF (GB) 2011-06-15 EP disclosed
EP-2097434-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITIS C VIRUS University College Cardiff Consultants Ltd. (GB) 2009-09-09 EP disclosed
WO-2008062206-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITIS C VIRUS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2008-05-29 WO disclosed