SCHEMBL21295799

SCHEMBL21295799

CC(O)C(=O)OC(C)C(=O)O.[KH].[KH]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
KLK7 P49862 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
SCHEMBL371441 1.00 TP53 (0.48) TP53CYP1A2GAACYP2C9PKM
SCHEMBL27912680 0.98 TP53 (0.46) TP53CYP1A2GAACYP2C9PKM
SCHEMBL18651139 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL21768461 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL8557040 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL23673200 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL44463 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL29743149 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL12046593 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL29743150 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019163615-A1 METHOD FOR PRODUCING INSTANT NOODLES CONTAINING POTASSIUM LACTATE 日清食品ホールディングス株式会社 2019-08-29 WO disclosed
CN-103998933-B Identify the mensuration of the compound of regulation bitterness 卓莫赛尔公司 2016-12-14 CN disclosed
CN-105399622-A Method for producing potassium lactate from heavy-component lactic acid WUHAN SANJIANG SPACE GOOD BIOTECH CO LTD 2016-03-16 CN disclosed
CN-103998933-A Assays for identifying compounds that modulate bitter taste CHROMOCELL CORP 2014-08-20 CN disclosed
CN-103637355-A Aqueous potassium lactate solution PURAC BIOCHEM BV 2014-03-19 CN disclosed
CN-101360427-A Aqueous potassium lactate solution PURAC BIOCHEM BV (NL) 2009-02-04 CN disclosed