Methane

Methane

SCHEMBL6545484

C.CC1=CC(c2cccc(C)c2)C=CC1(O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
HPN P05981 1/20 0.36
HTR2C P28335 3/20 0.35
ACHE P22303 3/20 0.33
HDAC4 P56524 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PBRM1 Q86U86 4/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
ALOX15B O15296 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL2165693 0.98 KMT2A (0.36) KMT2AMEN1NPC1HPNHTR2C
SCHEMBL2639115 0.79 HTR2C (0.36) KMT2AMEN1NPC1HPNHTR2C
SCHEMBL9288607 0.77 LMNA (0.41) KMT2AMEN1HTR2CACHEHDAC4
SCHEMBL9458426 0.75 OPRK1 (0.43) KMT2AMEN1NPC1ACHEHDAC4
SCHEMBL7141443 0.73 HDAC4 (0.37) KMT2AMEN1NPC1HPNHTR2C
SCHEMBL5175848 0.73 TDP1 (0.33) KMT2AMEN1NPC1HPNHTR2C
SCHEMBL6151708 0.71 ACHE (0.52) KMT2AMEN1NPC1HPNHTR2C
SCHEMBL4603853 0.68 MEN1 (0.37) KMT2AMEN1HTR2CHTR2AHTR2B
SCHEMBL6984486 0.67 KMT2A (0.34) KMT2AMEN1HTR2CHDAC4TDP1
SCHEMBL5025393 0.67 CYP2C19 (0.34) HTR2CHDAC4TDP1HTR2AHTR2B

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-1373425-A2 PROTECTIVE ARTICLES 3M Innovative Properties Company (US) 2004-01-02 EP disclosed
WO-2002070623-A2 PROTECTIVE ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-09-12 WO disclosed