SCHEMBL28102449

SCHEMBL28102449

O=C(Cc1ccccc1)OCC(=O)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.68
CYP19A1 P11511 1/20 0.60
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 4/20 0.54
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.48
KLK7 P49862 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL538524 0.87 CYP19A1 (0.76) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL8365863 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL27841007 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL27882415 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL11759023 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL4205339 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL27841023 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL11131614 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL28795788 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1
SCHEMBL28071098 0.85 CYP19A1 (0.73) PAMCYP19A1ALDH1A1MAPK1L3MBTL1

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
CN-106117042-B The method that phenylacetic acid is recycled in the waste liquid of 6-amino-penicillanic acid is prepared from enzyme process 国药集团大同威奇达中抗制药有限公司 2019-07-05 CN disclosed
CN-106117042-A The method reclaiming phenylacetic acid the waste liquid of 6 aminopenicillanic acids is prepared from enzyme process 国药集团大同威奇达中抗制药有限公司 2016-11-16 CN disclosed