Methane

Methane

SCHEMBL2365682

C.COc1ccc(NC(=O)O)cc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
TP53 P04637 1/20 0.63
ALOX15 P16050 1/20 0.63
TGM2 P21980 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL992202 0.98 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL11394952 0.92 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL3975157 0.92 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL29135461 0.87 SAE1 (0.78) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL7454467 0.83 KMT2A (0.72) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL6396790 0.83 RAB9A (0.76) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL11092496 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
Hydrochloric Acid SCHEMBL9038264 0.82 KMT2A (0.70) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL11721311 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4058023 0.81 NPC1 (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT

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
EP-2186506-B1 Teeth cleaning compound containing menthol with reduced bitter sensation SYMRISE AG (DE) 2015-09-30 EP disclosed
EP-2364689-A2 Teeth cleaning compound containing menthol with reduced bitter sensation Symrise AG (DE) 2011-09-14 EP disclosed
EP-2186506-A1 Teeth cleaning compound containing menthol with reduced bitter sensation Symrise GmbH & Co. KG (DE) 2010-05-19 EP disclosed