Ethane

Ethane

SCHEMBL10710106

CC.CCCC(O)CCOC(=O)C=CC(=O)OCCC(O)CCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
HCAR2 Q8TDS4 6/20 0.50
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APP P05067 3/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
ALOX5 P09917 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
SCHEMBL10837363 0.87 ATM (0.62) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL641953 0.83 TSHR (0.58) ATMHCAR2TSHRHPGD
SCHEMBL27800523 0.83 TSHR (0.58) ATMHCAR2TSHRHPGD
SCHEMBL27821518 0.83 TSHR (0.58) ATMHCAR2TSHRHPGD
SCHEMBL10837369 0.81 HCAR2 (0.67) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8327241 0.80 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9576303 0.80 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3458602 0.78 ATM (0.55) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL28643991 0.78 ATM (0.43) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL7166620 0.78 ALDH1A1 (0.52) MAPTRAB9ANPSR1TSHRHPGD

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-0274574-A2 Composition and method for repelling insects S.C. JOHNSON & SON, INC. (US) 1988-07-20 EP disclosed