Propane

Propane

SCHEMBL28528148

CCC.CCC(=O)OC(C)C

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 1/20 0.34
FFAR3 O14843 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL128684 0.97
SCHEMBL31019825 0.97 LMNA (0.54) LMNATSHRMEN1CYP2C19RECQL
Phosphine SCHEMBL28136081 0.94
Hydrochloric Acid SCHEMBL29626546 0.94 LMNA (0.52) LMNATSHRMEN1CYP2C19RECQL
SCHEMBL28138245 0.94
SCHEMBL28757042 0.94
Bromide SCHEMBL30338324 0.94
Ethane SCHEMBL28426694 0.94 LMNA (0.52) LMNATSHRMEN1CYP2C19RECQL
SCHEMBL28090408 0.94
SCHEMBL27619826 0.94

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-112218642-A Nucleotide prodrugs 塞利克公司 2021-01-12 CN disclosed