Propane

Propane

SCHEMBL28623151

CCC.Cc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1C(C)C

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.49
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CTSB P07858 1/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TTR P02766 1/20 0.39
HPGD P15428 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
SCHEMBL28704051 0.95 GPR35 (0.53) GPR35ALDH1A1ALOX15ALOX12MEN1
SCHEMBL118278 0.81 GPR35 (0.53) GPR35ALDH1A1ALOX15ALOX12MEN1
SCHEMBL4895836 0.81 GPR35 (0.53) GPR35ALDH1A1ALOX15ALOX12MEN1
SCHEMBL9500870 0.78 GPR35 (0.68) GPR35ALDH1A1ALOX15ALOX12MEN1
SCHEMBL11818777 0.72 GPR35 (0.49) GPR35ALDH1A1ALOX15ALOX12CYP1A2
SCHEMBL11601321 0.71 GPR35 (0.58) GPR35ALDH1A1ALOX15ALOX12MEN1
SCHEMBL17614759 0.71 GPR35 (0.57) GPR35ALDH1A1ALOX15ALOX12MEN1
SCHEMBL29262876 0.71 GPR35 (0.63) GPR35ALDH1A1ALOX15ALOX12MEN1
SCHEMBL12817224 0.71 GPR35 (0.49) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL31148932 0.71 GPR35 (0.49) GPR35ALDH1A1MEN1KMT2AMAPT

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
CN-113195507-A Multifunctional organosilicon compounds and related methods, compounds, and compositions 美国陶氏有机硅公司 2021-07-30 CN disclosed