Ethane

Ethane

SCHEMBL8627387

CC.CC.CC.COc1ccc(CC(CCCOB(O)O)(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1.N

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.37
CASR P41180 2/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
IDO1 P14902 4/20 0.36
PTPRB P23467 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ENPP2 Q13822 1/20 0.35
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
IGF1R P08069 1/20 0.34
PPARA Q07869 1/20 0.34
AGXT P21549 1/20 0.33
HTT P42858 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
Ammonia Solution, Strong SCHEMBL8625093 0.99 CALM1 (0.38) CALM1CASRALOX15SMN1; SMN2ALDH1A1
Methane SCHEMBL8629257 0.97 CALM1 (0.37) CALM1CASRALOX15SMN1; SMN2ALDH1A1
SCHEMBL5712235 0.97 CALM1 (0.39) CALM1CASRALOX15SMN1; SMN2ALDH1A1
Tetramethylammonium Ion SCHEMBL2849792 0.93 CALM1 (0.36) CALM1CASRALOX15SMN1; SMN2ALDH1A1
Tetrylammonium SCHEMBL5916203 0.89 CASR (0.36) CALM1CASRALOX15SMN1; SMN2ALDH1A1
Tetrabuthylammonium SCHEMBL8396208 0.86 CASR (0.38) CASRSMN1; SMN2ALDH1A1TSHRALOX12
SCHEMBL8395101 0.85 CASR (0.38) CASRALOX15SMN1; SMN2ALDH1A1TP53
SCHEMBL8398909 0.81 ALDH1A1 (0.36) CALM1CASRALOX15SMN1; SMN2ALDH1A1
SCHEMBL8397566 0.79 CASR (0.34) CALM1CASRALOX15SMN1; SMN2ALDH1A1
SCHEMBL8398875 0.79 SAE1 (0.33) CALM1CASRALOX15SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed