Propane

Propane

SCHEMBL28113027

CC(C)OC(=O)C1CC1.CCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 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
SCHEMBL2657918 0.93
SCHEMBL1296764 0.93 TSHR (0.43) TSHRLMNAALDH1A1HSD11B1TP53
Hydrochloric Acid SCHEMBL27570998 0.91 TSHR (0.42) TSHRLMNAHSD11B1TP53
SCHEMBL1296522 0.88 MAPT (0.51) MAPTALDH1A1
SCHEMBL10089212 0.88 EPHX2 (0.35) TSHRMAPTLMNAHSD11B1TP53
SCHEMBL1296412 0.85 PPM1B (0.45) MAPTLMNAALDH1A1
SCHEMBL12588853 0.85 EPHX2 (0.33) TSHRMAPTLMNAALDH1A1HSD11B1
SCHEMBL15071094 0.84 TSHR (0.37) TSHRMAPTLMNAHSD11B1TP53
SCHEMBL1297406 0.84 LMNA (0.39) TSHRMAPTLMNAALDH1A1HSD11B1
SCHEMBL14225111 0.84 ROCK2 (0.40) TSHRLMNAHSD11B1TP53

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-106278813-A A kind of continuous hydrolyzation device 大丰跃龙化学有限公司 2017-01-04 CN disclosed