SCHEMBL4633331

SCHEMBL4633331

O=C(OP(=O)(O)Cl)C(c1ccccc1)N(OCc1ccccc1)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.36
ACE2 Q9BYF1 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AGER Q15109 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FKBP1A P62942 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34

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
SCHEMBL4268901 1.00 ENPP2 (0.37) ENPP2TSHRTP53ACE2ALDH1A1
SCHEMBL4633319 0.88 SLC6A2 (0.39) TSHRTP53ALDH1A1CYP3A4MEN1
SCHEMBL4276273 0.88 SLC6A2 (0.39) TSHRTP53ALDH1A1CYP3A4MEN1
SCHEMBL4633843 0.76 ENPP2 (0.36) ENPP2TSHRACE2ALDH1A1AGER
SCHEMBL10004685 0.70 ALDH1A1 (0.40) TSHRALDH1A1MAPT
SCHEMBL472178 0.68 ALDH1A1 (0.38) TSHRALDH1A1L3MBTL1LMNAMAPT
SCHEMBL20162506 0.68 ALDH1A1 (0.38) TSHRALDH1A1L3MBTL1LMNAMAPT
SCHEMBL21052568 0.66 ALDH1A1 (0.41) TSHRALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL4277278 0.66 ENPP2 (0.34) ENPP2TSHRTP53ALDH1A1AGER
SCHEMBL7023153 0.65 PTGIR (0.36) ALDH1A1MEN1KMT2A

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-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
EP-1928475-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4'-SUBSTITUTED PRONUCLEOTIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP disclosed
WO-2007020193-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4 ' -SUBSTITUTED PRONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed