Propylene Glycol

Propylene Glycol

SCHEMBL4828289

CC(COC(=O)c1ccc(C(C)(C)C)cc1)OC(=O)c1ccc(C(C)(C)C)cc1.CC(O)CO

nearest known ligand 0.50

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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
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PRKCA P17252 1/20 0.44
ADRB2 P07550 12/20 0.42
ADRB1 P08588 12/20 0.42
ADRB3 P13945 12/20 0.42
MAPT P10636 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1798327 0.93 MEN1 (0.55) MEN1KMT2AADRB2ADRB1ADRB3
Propylene Glycol SCHEMBL4831136 0.83 USP2 (0.50) MEN1KMT2APRKCAADRB2ADRB1
Propylene Glycol SCHEMBL4839019 0.83 KDM4E (0.48) MEN1KMT2APRKCAADRB2ADRB1
Propylene Glycol SCHEMBL4197718 0.83 ALDH1A1 (0.58) KMT2APRKCAADRB2ADRB1ADRB3
Propylene Glycol SCHEMBL4188265 0.83 ALDH1A1 (0.58) KMT2APRKCAADRB2ADRB1ADRB3
SCHEMBL16217654 0.83 ADRB2 (0.45) PRKCAADRB2ADRB1ADRB3MAPT
SCHEMBL13481235 0.82 MAPT (0.49) ADRB2ADRB1ADRB3MAPTCA1
SCHEMBL14707368 0.82 MAPT (0.49) ADRB2ADRB1ADRB3MAPTCA1
SCHEMBL29012462 0.82 ALDH1A1 (0.51) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL15710024 0.81 MEN1 (0.55) MEN1KMT2AMAPTCA1CA2

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
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed