SCHEMBL19731704

SCHEMBL19731704

CCCCCCCCCCCCCC(=O)NC[C@H](OP(OCCC#N)N(C(C)C)C(C)C)OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
ASAH1 Q13510 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 2/20 0.36
EPHX2 P34913 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MTNR1A P48039 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL22872080 0.88 CNR1 (0.40) HPGDASAH1ALDH1A1CNR1EPHX2
SCHEMBL19731703 0.85 HPGD (0.38) HPGDALDH1A1OPRM1OPRD1GAA
SCHEMBL12423515 0.81 KIF11 (0.32) ALDH1A1
SCHEMBL21431255 0.79 HDAC6 (0.38) HPGDALDH1A1
SCHEMBL21431166 0.79 HDAC6 (0.38) HPGDALDH1A1
SCHEMBL19895673 0.79 HPGD (0.35) HPGDALDH1A1OPRM1OPRD1GAA
SCHEMBL30489939 0.78 PLA2G2A (0.36)
SCHEMBL12191613 0.78 SMN1; SMN2 (0.33) HPGDALDH1A1GAA
SCHEMBL31240156 0.78 ALDH1A1 (0.35) ALDH1A1CNR1MTNR1A
SCHEMBL31240199 0.78 ALDH1A1 (0.35) ALDH1A1CNR1MTNR1A

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-20210102944-A1 METHOD OF IMMOBILIZING A CELL ON A SUPPORT USING COMPOUNDS COMPRISING A POLYETHYLENE GLYCOL MOIETY ROCHE DIAGNOSTICS OPERATIONS INC (US) 2021-04-08 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