Propane

Propane

SCHEMBL16496189

CCC.CCC.CCN(CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1)CCCl

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.85
CHRM1 P11229 8/20 0.85
CHRM4 P08173 6/20 0.85
CHRM3 P20309 6/20 0.85
KCNH2 Q12809 3/20 0.85
CYP2C19 P33261 2/20 0.85
SLC6A3 Q01959 2/20 0.85
CYP3A4 P08684 2/20 0.85
CYP1A2 P05177 1/20 0.85
CYP2D6 P10635 1/20 0.85
CYP2C9 P11712 1/20 0.85
PKM P14618 1/20 0.85
NFKB1 P19838 1/20 0.85
THPO P40225 1/20 0.85
ABCB11 O95342 1/20 0.85
ESR1 P03372 1/20 0.85
CHRM5 P08912 1/20 0.85
ADRA2A P08913 1/20 0.85
ADORA3 P0DMS8 1/20 0.85
TBXA2R P21731 1/20 0.85

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
SCHEMBL4604388 0.99 CHRM2 (0.86) CHRM2CHRM1CHRM4CHRM3KCNH2
SCHEMBL26032 0.99 CHRM2 (0.86) CHRM2CHRM1CHRM4CHRM3KCNH2
Esoxybutynin SCHEMBL290373 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL2992 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Aroxybutynin SCHEMBL25880 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL1560964 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL25751 0.91 MEN1 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL8019436 0.91 MEN1 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL19816026 0.91 CHRM2 (0.98) CHRM2CHRM1CHRM4CHRM3KCNH2
Oxybutynin SCHEMBL5494388 0.91 MEN1 (1.00) CHRM2CHRM1CHRM4CHRM3KCNH2

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
EP-2397486-A1 Phytases, nucleic acids encoding them and methods for making and using them Verenium Corporation (US) 2011-12-21 EP disclosed