SCHEMBL8940698

SCHEMBL8940698

CC(OC(=O)OC(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
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 1/20 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

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
SCHEMBL21173640 0.84 TP53 (0.42) TP53CYP1A2GAACYP2C9PKM
SCHEMBL28337793 0.81 TP53 (0.40) TP53CYP1A2GAACYP2C9PKM
SCHEMBL27447426 0.81 TP53 (0.40) TP53CYP1A2GAACYP2C9PKM
SCHEMBL5490374 0.79 TSHR (0.46) TP53GAATSHR
SCHEMBL10011557 0.79 TP53 (0.38) TP53CYP1A2GAACYP2C9PKM
SCHEMBL10011553 0.79 TP53 (0.38) TP53CYP1A2GAACYP2C9PKM
SCHEMBL1778617 0.78
SCHEMBL13911750 0.78
SCHEMBL22556035 0.73 LMNA (0.35) TP53CYP1A2GAACYP2C9PKM
SCHEMBL22556033 0.73 LMNA (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8176421-A None JP disclosed
JP-H08176421-A BIODEGRADABLE LAMINATE AND BIODEGRADABLE CARD TOPPAN PRINTING CO LTD 1996-07-09 JP disclosed