SCHEMBL19731703

SCHEMBL19731703

COc1ccc(C(OCCCCC(=O)NCC(CNC(=O)CCCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A1 P30531 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
SLC6A11 P48066 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL19895673 0.93 HPGD (0.35) HPGDOPRM1OPRD1ALDH1A1GAA
SCHEMBL21431255 0.86 HDAC6 (0.38) HPGDALDH1A1SLC6A1HDAC6SLC6A11
SCHEMBL21431166 0.86 HDAC6 (0.38) HPGDALDH1A1SLC6A1HDAC6SLC6A11
SCHEMBL19731704 0.85 HPGD (0.37) HPGDOPRM1OPRD1ALDH1A1GAA
SCHEMBL22380926 0.84 SLC6A11 (0.34) ALDH1A1KMT2ASLC6A1SLC6A11CYP1A2
SCHEMBL12191613 0.83 SMN1; SMN2 (0.33) HPGDALDH1A1GAAKMT2AHDAC6
SCHEMBL27050962 0.83 SLC6A1 (0.34) ALDH1A1GAASLC6A1SLC6A11CYP1A2
SCHEMBL2820572 0.83 SLC6A1 (0.34) ALDH1A1GAASLC6A1SLC6A11CYP1A2
SCHEMBL16329608 0.83 SLC6A1 (0.34) ALDH1A1GAASLC6A1SLC6A11CYP1A2
SCHEMBL25764740 0.83 SLC6A1 (0.34) ALDH1A1GAASLC6A1SLC6A11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10890585-B2 Method of immobilizing a cell on a support using compounds comprising a polyethylene glycol moiety ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2021-01-12 US disclosed
US-20170363624-A1 METHOD OF IMMOBILIZING A CELL ON A SUPPORT USING COMPOUNDS COMPRISING A POLYETHYLENE GLYCOL MOIETY ROCHE DIAGNOSTICS OPERATIONS, INC. 2017-12-21 US disclosed