SCHEMBL6360573

SCHEMBL6360573

O=C(O)COCC(=O)OCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAM P19021 3/20 0.45
TSHR P16473 1/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
THRB P10828 1/20 0.38
PTGS1 P23219 1/20 0.35
VCAM1 P19320 1/20 0.32
PTGIR P43119 1/20 0.32
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TTR P02766 1/20 0.30
CYP2C9 P11712 1/20 0.30
TBXA2R P21731 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL2600792 0.97 PAM (0.46) PAMTSHRCTHCBSTHPO
SCHEMBL17672288 0.89 TSHR (0.39) PAMTSHRCTHCBSTHPO
SCHEMBL12286261 0.85 PAM (0.44) PAMTSHRCTHCBSTHPO
SCHEMBL9195118 0.82 GAA (0.50) PAMTSHRPTGS1ALOX15LMNA
SCHEMBL26928 0.82
SCHEMBL803309 0.80 PAM (0.39) PAMTSHRCTHCBSTHPO
SCHEMBL367297 0.80 TSHR (0.37) PAMTSHRCTHCBSTHPO
SCHEMBL1297624 0.80 TSHR (0.41) PAMTSHRCTHCBSTHPO
SCHEMBL516734 0.78 TSHR (0.50) PAMTSHRCTHCBSTHPO
Ammonia Solution, Strong SCHEMBL11325580 0.78 TSHR (0.50) TSHRCTHCBSTHPOTHRB

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
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed