Methane

Methane

SCHEMBL10697109

C.OC1CCc2ccccc2N1

nearest known ligand 0.45

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
SMYD3 Q9H7B4 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ANPEP P15144 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SLC18A3 Q16572 2/20 0.36
PLAU P00749 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2697405 0.98 MTNR1A (0.45) MTNR1ASMYD3MAPTGAANPC1
SCHEMBL13305784 0.98 MTNR1A (0.45) MTNR1ASMYD3MAPTGAANPC1
SCHEMBL28901934 0.86 MAPT (0.43) MTNR1ASMYD3MAPTGAANPC1
SCHEMBL19774297 0.77 MTNR1A (0.47) MTNR1ASMYD3MAPTGAANPC1
SCHEMBL2781001 0.77 MAPT (0.55) MTNR1AMAPTGAANPC1KDM4E
SCHEMBL31517110 0.77 MAPT (0.55) MTNR1AMAPTGAANPC1KDM4E
SCHEMBL28043088 0.76 MTNR1A (0.47) MTNR1ASMYD3MAPTGAANPC1
SCHEMBL20344534 0.76 ANPEP (0.50) MTNR1ASMYD3MAPTGAANPC1
Hydrochloric Acid SCHEMBL27277923 0.75 GAA (0.53) MTNR1AMAPTGAAANPEP
SCHEMBL19088009 0.74 ESR2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1017435-B PROCESS FOR PREPARATION OF GLYCEROL DERIVATIVES NIPPON CHEMIPHAR CO (JP) 1992-07-15 CN disclosed
CN-1030239-A The preparation method of new glycerol derivative NIPPON CHEMIPHAR CO (JP) 1989-01-11 CN disclosed
EP-0284395-A2 Novel glycerol derivative and anti-hypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1988-09-28 EP disclosed