SCHEMBL11215775

SCHEMBL11215775

O=C1OC(=CO)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
ALOX15 P16050 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
TRPA1 O75762 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL11215773 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL8767253 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL8767247 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL17293790 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL2606686 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL19244126 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL19244125 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL22799287 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL304549 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL15473352 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1

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-57106684-A None JP disclosed
JP-S57106684-A SYN-ISOMER OF 7-SUBSTITUTED-3-CEPHEM-4-CARBOXYLIC ACID ESTER AND ITS PREPARATION FUJISAWA PHARMACEUT CO LTD 1982-07-02 JP disclosed