Propene

Propene

SCHEMBL4805659

C=CC.CC(C)(C)c1cccc(C(C)(C)C)c1O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.77
▸ GABRA1 P14867 1/20 0.59
▸ GABRB2 P47870 1/20 0.59
▸ ALOX12 P18054 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CA1 P00915 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TYR P14679 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS1 P23219 5/20 0.41
▸ PTGS2 P35354 5/20 0.41
▸ ALOX5 P09917 3/20 0.41
▸ HTT P42858 1/20 0.39
▸ HPN P05981 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SIRT5 Q9NXA8 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
SCHEMBL38598 0.88 CA2 (1.00) CA2GABRA1GABRB2ALOX12ALDH1A1
Formaldehyde SCHEMBL28125512 0.86 CA2 (0.85) CA2GABRA1GABRB2ALOX12ALDH1A1
Methyl Alcohol SCHEMBL28909622 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL29614734 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL28924235 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL7076174 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL28473948 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL31622310 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL22444875 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL29978072 0.85 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7413583-B2 Emulsified fuels and engine oil synergy THE LUBRIZOL CORPORATION (US) 2008-08-19 — — US claimed
EP-1664250-A2 EMULSIFIED FUELS AND ENGINE OIL SYNERGY The Lubrizol Corporation (US) 2006-06-07 — — EP claimed
WO-2005021691-A2 EMULSIFIED FUELS AND ENGINE OIL SYNERGY THE LUBRIZOL CORPORATION (US) 2005-03-10 — — WO claimed
US-20050039381-A1 Emulsified fuels and engine oil synergy LUBRIZOL CORPORATION, THE 2005-02-24 — — US claimed
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