SCHEMBL7900809

SCHEMBL7900809

O=C1CN(C(=O)O)[C@@H](c2ccccc2)C(c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX1 P07099 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 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
SCHEMBL3728141 1.00 GAA (0.40) GAAALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL6822684 1.00 GAA (0.40) GAAALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL9235945 1.00 GAA (0.40) GAAALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL10207129 0.88 POLB (0.49) GAAALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL3706217 0.81 NR1H2 (0.42) KMT2AMEN1USP2TSHR
SCHEMBL894292 0.81 NR1H2 (0.42) KMT2AMEN1USP2TSHR
SCHEMBL894291 0.81 NR1H2 (0.42) KMT2AMEN1USP2TSHR
SCHEMBL28906947 0.80 L3MBTL1 (0.42) GAAALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL14897525 0.78 RAB9A (0.40) GAAALDH1A1POLBTSHR
SCHEMBL13681382 0.77 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19KMT2AMEN1

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
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed