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Ethane

Ethane

SCHEMBL9248574

CC.CC(C)(C)c1cc(CCC(=O)OCOC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(CCC(=O)OCOC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(CCC(=O)OCOC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(CCC(=O)OCOC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR5A2 O00482 1/20 0.39
▸ NR5A1 Q13285 1/20 0.39
▸ CYP2C19 P33261 3/20 0.37
▸ HSPA5 P11021 2/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ VCAM1 P19320 3/20 0.36
▸ GLRA3 O75311 1/20 0.36
▸ GLRB P48167 1/20 0.36
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL27450776 0.90 CYP4F2 (0.44) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL3163194 0.89 GAA (0.39) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL11817566 0.89 GAA (0.38) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL2022442 0.89 GAA (0.39) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL29634849 0.89 GAA (0.39) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL2098961 0.88 NR5A2 (0.40) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL7941206 0.88 VCAM1 (0.39) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL31344592 0.87 VCAM1 (0.48) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL8854376 0.87 VCAM1 (0.48) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL28060756 0.85 NR5A2 (0.46) GAAALDH1A1XBP1MAPK1HTT

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
EP-0530360-A4 — PHILLIPS PETROLEUM CO (US) 1995-04-26 — — EP disclosed
EP-0530360-A1 GLASS-REINFORCED GRAFTED BRANCHED HIGHER ALPHA-OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1993-03-10 — — EP disclosed