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Tricaprilin

Tricaprilin

SCHEMBL5669494

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O=S(=O)(O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Tricaprilin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 7/20 0.68
▸ OPRD1 P41143 9/20 0.68
▸ OPRK1 P41145 5/20 0.68
▸ MRGPRX2 Q96LB1 2/20 0.61
▸ SLC22A1 O15245 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ ARRB1 P49407 1/20 0.61

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
Ethyl Oleate SCHEMBL6478097 0.85 OPRD1 (0.65) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL3476234 0.84 OPRD1 (0.75) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL2030143 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL8512204 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL1559600 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL30885818 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL3476236 0.82 OPRD1 (0.68) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL5658489 0.82 OPRD1 (0.98) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL990690 0.82 OPRD1 (0.98) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL6650507 0.80 OPRD1 (0.69) OPRD1OPRM1OPRK1MRGPRX2SLC22A1

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-0971699-A4 METHOD FOR UTILIZING NEUTRAL LIPIDS TO MODIFY IN VIVO RELEASE FROM MULTIVESICULAR LIPOSOMES SKYEPHARMA INC (US) 2006-05-24 — — EP disclosed
EP-0971699-A1 METHOD FOR UTILIZING NEUTRAL LIPIDS TO MODIFY IN VIVO RELEASE FROM MULTIVESICULAR LIPOSOMES SkyePharma Inc. (US) 2000-01-19 — — EP disclosed
WO-1998033483-A1 METHOD FOR UTILIZING NEUTRAL LIPIDS TO MODIFY IN VIVO RELEASE FROM MULTIVESICULAR LIPOSOMES SKYEPHARMA, INC. (US) 1998-08-06 — — WO disclosed
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