Methane

Methane

SCHEMBL11528997

C.CCC1Cc2ccc(CC(=O)O)cc2C1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.45
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 4/20 0.42
AKR1B1 P15121 2/20 0.42

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
SCHEMBL11533272 0.98 TBXA2R (0.46) TBXA2RHPGDHSD17B10KDM4ETSHR
Methyl Alcohol SCHEMBL11526388 0.97 TBXA2R (0.45) TBXA2RHPGDHSD17B10KDM4ETSHR
SCHEMBL11575568 0.87 SRD5A2 (0.46) TBXA2RAKR1B1SRD5A2
Methane SCHEMBL11531376 0.84 ALDH1A1 (0.46) TBXA2RHPGDTSHRGAAMAPT
SCHEMBL7274546 0.83 TBXA2R (0.46) TBXA2RHPGDHSD17B10KDM4ETSHR
SCHEMBL11575331 0.82 AKR1B1 (0.41) TBXA2RHPGDHSD17B10KDM4ETSHR
SCHEMBL11530910 0.82 KDM4E (0.46) TBXA2RHPGDHSD17B10KDM4ETSHR
SCHEMBL11527244 0.82 ALDH1A1 (0.47) TBXA2RHPGDTSHRGAAMAPT
SCHEMBL11528818 0.81 TBXA2R (0.42) TBXA2RMAPTNFKB1LMNA
Methane SCHEMBL10892966 0.80 KDM4E (0.41) TBXA2RHPGDHSD17B10KDM4ETSHR

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
US-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US claimed
US-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US disclosed