Methane

Methane

SCHEMBL28237192

C.CCCC(S)CCOC(C)=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.42
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38

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
SCHEMBL5026819 0.98 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL112254 0.98 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL5026818 0.98 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
Acetic Acid SCHEMBL21408590 0.94 ALDH1A1 (0.47) ALDH1A1TSHRALOX15LMNAHSD17B10
Acetaldehyde SCHEMBL17106540 0.91 ALDH1A1 (0.44) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3244027 0.86 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3244029 0.86 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3244031 0.86 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL31053838 0.86 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL21408588 0.85 ALDH1A1 (0.38) ALDH1A1TSHRALOX15LMNAHSD17B10

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-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed