SCHEMBL7070112

SCHEMBL7070112

CCC(=CC=Cc1ccccc1)C(=O)O.N#CC=CC=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
MCL1 Q07820 2/20 0.46
LMNA P02545 7/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
Methacrylic Acid SCHEMBL8764837 0.91 GRIK1 (0.42) GRIK1MCL1LMNAKDM4EALDH1A1
SCHEMBL10394714 0.87 GRIK1 (0.60) GRIK1MCL1LMNAKDM4EALDH1A1
SCHEMBL221210 0.87 GRIK1 (0.60) GRIK1MCL1LMNAKDM4EALDH1A1
SCHEMBL27287001 0.84 GRIK1 (0.54) GRIK1MCL1LMNAKDM4EALDH1A1
SCHEMBL1765980 0.82 MCL1 (0.40) GRIK1MCL1LMNAKDM4EALDH1A1
SCHEMBL5879478 0.82 MCL1 (0.49) GRIK1MCL1LMNAKDM4EALDH1A1
Maleic Acid SCHEMBL7550248 0.81 GRIK1 (0.55) GRIK1MCL1LMNAKDM4EALDH1A1
SCHEMBL3430854 0.81 GRIK1 (0.42) GRIK1MCL1LMNAKDM4EALDH1A1
Bicarbonate SCHEMBL16751853 0.81 MAOB (0.54) MCL1LMNAKDM4EALDH1A1SMN1; SMN2
Acrylic Acid SCHEMBL5875513 0.80 GRIK1 (0.54) GRIK1MCL1LMNAKDM4EALDH1A1

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-6613433-B2 Composite equipped with a polarizing plate holding a polarizer sheet layer between two protective sheet layers, wherein the polarizing sheet layer has on one side thereof at least two layers, in a body, constructed of materials different each YAMAMOTO KOGAKU CO., LTD. (JP) 2003-09-02 US claimed