SCHEMBL30870100

SCHEMBL30870100

CC1(OO)OC(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
GOPC Q9HD26 1/20 0.47
LMNA P02545 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 3/20 0.46
GPR55 Q9Y2T6 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ESR1 P03372 1/20 0.46
TP53 P04637 1/20 0.46
TYMS P04818 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 7/20 0.44

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
SCHEMBL22343694 0.82 CFTR (0.48) CFTRGOPCLMNAMAPTMEN1
SCHEMBL10917714 0.80 MAPT (0.47) CFTRGOPCLMNAMAPTMEN1
SCHEMBL10917663 0.76 SMN1; SMN2 (0.46) CFTRGOPCLMNAMAPTMEN1
SCHEMBL7697104 0.76 CFTR (0.50) CFTRGOPCLMNAMAPTMEN1
SCHEMBL361852 0.75 CFTR (0.53) CFTRGOPCLMNAMAPTMEN1
SCHEMBL29672587 0.75 CFTR (0.53) CFTRGOPCLMNAMAPTMEN1
SCHEMBL31267314 0.72 CFTR (0.50) CFTRGOPCLMNAMAPTMEN1
SCHEMBL28995190 0.72 CFTR (0.50) CFTRGOPCLMNAMAPTMEN1
SCHEMBL28271162 0.72 CFTR (0.50) CFTRGOPCLMNAMAPTMEN1
SCHEMBL4079140 0.72 CFTR (0.46) CFTRGOPCLMNAMAPTMEN1

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-117535251-A Enzymatic synthesis method of immunosuppressant mycophenolic acid and derivative thereof 山东大学 2024-02-09 CN disclosed