Methane

Methane

SCHEMBL28111858

C.C=C(C)C(=O)OC1CCCCCCCCCCC1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
NAAA Q02083 2/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 3/20 0.39
CYP2C19 P33261 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
GPR35 Q9HC97 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
Methane SCHEMBL9644058 0.98 EPHX1 (0.41) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL18823066 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL1052594 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL28878275 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL887989 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL16297135 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL440149 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL22480 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL18822970 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1
SCHEMBL439354 0.98 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP19A1

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-103687908-B Molding material 株式会社日本触媒 2016-11-02 CN disclosed