SCHEMBL6819737

SCHEMBL6819737

O=C(O)CCCCCCCCCCCCCCCCC(=O)n1nnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 4/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C8 P10632 1/20 0.61
▸ CYP2B6 P20813 1/20 0.61
▸ CYP4F8 P98187 1/20 0.61
▸ CYP4F12 Q9HCS2 1/20 0.61
▸ HPGD P15428 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ EGLN3 Q9H6Z9 1/20 0.56
▸ GAA P10253 5/20 0.55
▸ MGAM O43451 4/20 0.55
▸ AMY1A P0DUB6 4/20 0.55
▸ SI P14410 4/20 0.55
▸ MGAM2 Q2M2H8 4/20 0.55
▸ F2 P00734 2/20 0.55
▸ SLC9A1 P19634 1/20 0.55

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
SCHEMBL6814131 1.00 CYP4Z1 (0.61) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL3544941 0.89 EGLN3 (0.60) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL5793440 0.87 ASAH1 (0.66) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL337266 0.87 ASAH1 (0.66) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL535029 0.87 ASAH1 (0.66) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL18206302 0.87 ASAH1 (0.66) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL534984 0.87 ASAH1 (0.66) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL535094 0.87 ASAH1 (0.66) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL534899 0.87 ASAH1 (0.66) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL3252264 0.85 HPGD (0.61) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8

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-0938502-B1 SELECTIVE ACYLATION METHOD NOVO NORDISK AS (DK) 2004-10-06 — — EP disclosed
EP-0938502-A1 SELECTIVE ACYLATION METHOD NOVO NORDISK A/S (DK) 1999-09-01 — — EP disclosed
US-5905140-A ACYLATING INSULIN, INSULIN ANALOGS, AND INSULIN PRECURSORS ON FREE EPSILON-AMINO GROUP OF LYSINE USING ACTIVATED AMIDE WITH ACYL GROUP IN POLAR SOLVENT IN PRESENCE OF BASE NOVO NORDISK A/S, NOVO ALLE (DK) 1999-05-18 — — US disclosed
WO-1998002460-A1 SELECTIVE ACYLATION METHOD NOVO NORDISK A/S (DK) 1998-01-22 — — WO disclosed
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