SCHEMBL28293843

SCHEMBL28293843

C=C(C)C(=O)OC.c1scc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
POLB P06746 3/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 5/20 0.37
BAZ2B Q9UIF8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
GAA P10253 1/20 0.33
PLK1 P53350 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.31
PKM P14618 2/20 0.31

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
Acetic Acid Methyl Ester SCHEMBL28914604 0.84 CYP1A2 (0.43) ALDH1A1POLBRECQLBLML3MBTL1
SCHEMBL13585921 0.83 KDM4E (0.37) ALDH1A1POLBKDM4EBAZ2BCYP1A2
Methacrylic Acid SCHEMBL1829981 0.82 POLB (0.39) ALDH1A1POLBRECQLBLML3MBTL1
SCHEMBL29036832 0.80 ALDH1A1 (0.60) ALDH1A1POLBRECQLBLML3MBTL1
SCHEMBL2298572 0.76 BAZ2B (0.45) ALDH1A1KDM4EBAZ2BCYP1A2CYP2C19
Propene SCHEMBL28324814 0.75 ALDH1A1 (0.52) ALDH1A1POLBRECQLBLML3MBTL1
Oxirane SCHEMBL9454868 0.73 ALDH1A1 (0.75) ALDH1A1POLBRECQLBLML3MBTL1
Oxirane SCHEMBL16412515 0.73 ALDH1A1 (0.75) ALDH1A1POLBRECQLBLML3MBTL1
Bicarbonate SCHEMBL6623191 0.73 BAZ2B (0.39) KDM4EBAZ2BNPSR1SMN1; SMN2GAA
Methyl Alcohol SCHEMBL1142051 0.73 ITGB2 (0.39) ALDH1A1POLBKDM4EBAZ2BCYP1A2

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
CN-109741858-A All-polymer flexible transparent electrode of green printing and preparation method thereof 广州中国科学院先进技术研究所 2019-05-10 CN disclosed