Methane

Methane

SCHEMBL28248397

C.O=C(Cl)C1CCCCC1.O=C(Cl)C1CCCCC1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD11B1 P28845 6/20 0.39
EPHX1 P07099 6/20 0.38
RECQL P46063 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
HSD11B2 P80365 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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 SCHEMBL27878577 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL13368687 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9013430 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8294928 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2154567 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1420 0.97
SCHEMBL16317826 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9010935 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1477908 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL21391824 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR

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-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed