SCHEMBL8458576

SCHEMBL8458576

COC(OC)(C(C#N)(N(C(C)C)C(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)P(O)(O)(O)CCCc1c[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HCRTR1 O43613 1/20 0.39
SLC6A4 P31645 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
APAF1 O14727 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
CTSL P07711 2/20 0.35

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
SCHEMBL8459849 0.86
SCHEMBL8461363 0.83
SCHEMBL8460546 0.80 TAAR1 (0.35)
SCHEMBL8458386 0.79
SCHEMBL8460922 0.73 DUT (0.42)
SCHEMBL7149316 0.68 KDM4E (0.39) MEN1KMT2ASLC6A4KDM4EL3MBTL1
SCHEMBL7147633 0.64 SMN1; SMN2 (0.51) MEN1KMT2ASLC6A4KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL9368622 0.60 SLC6A4 (0.57) MEN1KMT2ASLC6A4KDM4EALDH1A1
SCHEMBL7004146 0.60 HTR2A (0.71) MEN1KMT2ASLC6A4KDM4EALDH1A1
SCHEMBL7005718 0.60 HTR2A (0.71) MEN1KMT2ASLC6A4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed