SCHEMBL28649448

SCHEMBL28649448

CC(=O)OCc1ccccc1C1CO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
SLC18A3 Q16572 1/20 0.37
NAAA Q02083 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.35
MAOB P27338 1/20 0.34
NLRP3 Q96P20 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL28050130 0.81 NAAA (0.49) ALDH1A1CYP3A4POLBL3MBTL1MAPT
SCHEMBL14945593 0.80 ADRA1A (0.48) ALDH1A1ADRA1A
SCHEMBL5255523 0.77 ALDH1A1 (0.65) ALDH1A1CYP3A4POLBL3MBTL1MAPT
SCHEMBL17726860 0.77 NAAA (0.46) ALDH1A1CYP3A4POLBL3MBTL1MAPT
SCHEMBL27715176 0.77 ALDH1A1 (0.45) ALDH1A1CYP3A4POLBL3MBTL1MAPT
SCHEMBL27262937 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4POLBL3MBTL1MAPT
SCHEMBL8358228 0.76 CTSB (0.49) MAPTKDM4E
SCHEMBL27735857 0.75 NAAA (0.47) ALDH1A1CYP3A4POLBL3MBTL1MAPT
SCHEMBL29180742 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4POLBL3MBTL1MAPT
SCHEMBL30417552 0.74 ALDH1A1 (0.57) ALDH1A1CYP3A4L3MBTL1MAPTCYP1A2

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-109415502-B Aliphatic polycarbonate and adhesive resin composition containing same 国立大学法人东京农工大学 2021-10-08 CN disclosed