Methane

Methane

SCHEMBL28983045

C.CC(C)c1ccc(C(C)C=O)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.56
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 1/20 0.37
PIM1 P11309 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 2/20 0.35
USP5 P45974 1/20 0.35
NFKB1 P19838 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 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
SCHEMBL454717 0.97 TYR (0.58) TYRKDM4EMAPK1MGLLCYP2C9
SCHEMBL874206 0.97 TYR (0.58) TYRKDM4EMAPK1MGLLCYP2C9
SCHEMBL21628043 0.89 TYR (0.46) TYRKDM4EMAPK1MGLL
SCHEMBL22992438 0.83 TYR (0.43) TYRMAPK1CYP2C9HIF1AHTT
SCHEMBL96817 0.83 ADRB2 (0.50) TYRMAPK1HIF1APOLBIDO1
SCHEMBL11815736 0.83 ADRB2 (0.50) TYRMAPK1HIF1APOLBIDO1
SCHEMBL29595346 0.82 TYR (0.41) TYR
SCHEMBL872965 0.80 CYP2A6 (0.44) TYRHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL4831627 0.80 CYP2A6 (0.44) TYRHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL1532439 0.80 CYP2A6 (0.44) TYRHTTALDH1A1HPGDSMN1; SMN2

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-115768493-A Devices and compositions for improved scent delivery 宝洁公司 2023-03-07 CN disclosed