Propane

Propane

SCHEMBL1998876

CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.CCC

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.40
THRA P10827 1/20 0.40
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GLA P06280 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL2704549 0.96
Ethylene Glycol SCHEMBL672311 0.89 THRB (0.36) THRBTHRACYP1A2ALDH1A1PKM
SCHEMBL5532392 0.88 THRB (0.37) THRBTHRAFFAR3HDAC3HDAC1
SCHEMBL30190455 0.87 THRB (0.36) THRBTHRAFFAR3HDAC3HDAC1
SCHEMBL181262 0.87 THRB (0.36) THRBTHRAFFAR3HDAC3HDAC1
SCHEMBL20590547 0.86 THRB (0.35) THRBTHRACYP1A2ALDH1A1PKM
SCHEMBL18154865 0.86 THRB (0.35) THRBTHRACYP1A2ALDH1A1PKM
SCHEMBL1535860 0.86 THRB (0.35) THRBTHRACYP1A2ALDH1A1PKM
SCHEMBL673452 0.83 THRB (0.33) THRBTHRACYP1A2ALDH1A1PKM
SCHEMBL19085520 0.83 CYP1A2 (0.45) CYP1A2ALDH1A1HRH3SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401505-A Microcapsules from polyfunctional aziridines MINNESOTA MINING AND MANUFACTURING (US) 1995-03-28 US claimed
US-5169632-A MICROCAPSULES FROM POLYFUNCTIONAL AZIRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-12-08 US claimed
US-8309657-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-11-13 US disclosed
US-20110196086-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2011-08-11 US disclosed
EP-2336233-A1 RUBBER COMPOSITION Bridgestone Corporation (JP) 2011-06-22 EP disclosed
EP-0508576-B1 Microcapsules from polyfunctional aziridines MINNESOTA MINING & MFG (US) 1995-07-19 EP disclosed
US-5401505-A Microcapsules from polyfunctional aziridines MINNESOTA MINING AND MANUFACTURING (US) 1995-03-28 US disclosed
US-5169632-A MICROCAPSULES FROM POLYFUNCTIONAL AZIRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-12-08 US disclosed