Propane

Propane

SCHEMBL1995071

CCC.O=C(O)CCN1CC1.O=C(O)CCN1CC1.O=C(O)CCN1CC1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FFAR3 O14843 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PAOX Q6QHF9 1/20 0.41
AKR1B1 P15121 1/20 0.39
LMNA P02545 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38

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
Alcohol SCHEMBL5801058 0.93 GLA (0.57) GLACYP1A2MAPK1SMN1; SMN2FFAR3
Alcohol SCHEMBL28379053 0.93 GLA (0.57) GLACYP1A2MAPK1SMN1; SMN2FFAR3
SCHEMBL1069692 0.92
SCHEMBL6536452 0.92 GLA (0.67) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3973280 0.92 GLA (0.67) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7027263 0.92 GLA (0.67) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2113757 0.91 GLA (0.55) GLACYP1A2MAPK1SMN1; SMN2PKM
SCHEMBL14182161 0.91 GLA (0.55) GLACYP1A2MAPK1SMN1; SMN2FFAR3
Ammonia Solution, Strong SCHEMBL9352555 0.90
SCHEMBL954925 0.88 GLA (0.57) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1

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
EP-0875548-B1 Paint masking tape SONY CHEMICALS CORP (JP) 2002-07-10 EP 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
EP-0508576-A1 Microcapsules from polyfunctional aziridines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-14 EP disclosed
US-4418164-A REINFORCEMENT IN TIRES, BELTS AND PLASTICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-11-29 US disclosed