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Propylene Glycol

Propylene Glycol

SCHEMBL9901967

CC(O)CO.CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@H]1NC(C)=O

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSPD1 P10809 2/20 0.94
▸ HSPE1 P61604 2/20 0.94
▸ ADORA3 P0DMS8 1/20 0.82
▸ DRD1 P21728 1/20 0.82
▸ MEN1 O00255 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ USP2 O75604 1/20 0.81
▸ NPC1 O15118 1/20 0.66
▸ MTOR P42345 1/20 0.66
▸ RAB9A P51151 1/20 0.66

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
Eprinomectin SCHEMBL29392105 0.98 HSPD1 (0.98) HSPD1HSPE1ADORA3DRD1MEN1
Eprinomectin SCHEMBL120548 0.98 HSPD1 (0.98) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL248559 0.97 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL19708763 0.97 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL29355814 0.97 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL248270 0.97 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL29523079 0.97 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL31237191 0.94 HSPD1 (0.91) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL3913613 0.94 HSPD1 (0.91) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL3465034 0.94 HSPD1 (0.91) HSPD1HSPE1ADORA3DRD1MEN1

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
WO-2012078605-A1 TOPICAL COMBINATION FORMULATIONS OF MACROCYCLIC LACTONES WITH SYNTHETIC PYRETHROIDS MERIAL LIMITED (US) 2012-06-14 — — WO disclosed