SCHEMBL7977530

SCHEMBL7977530

COC(=O)CSc1cccc(CO)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 5/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 2/20 0.42
PRNP P04156 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL7994239 0.83 CYP1A2 (0.49) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL8153543 0.80 HSD17B10 (0.63) HSD17B10POLBKMT2ARXFP1HPGD
SCHEMBL7963942 0.79 HSD17B10 (0.61) HSD17B10POLBKMT2ARXFP1HPGD
SCHEMBL10504984 0.74 HSD17B10 (0.59) HSD17B10POLBKMT2ARXFP1HPGD
SCHEMBL7994077 0.74 PDCD1 (0.46) HSD17B10KMT2AHPGDALDH1A1MAPK1
SCHEMBL7997433 0.73 ALDH1A1 (0.52) HSD17B10POLBKMT2ARXFP1HPGD
SCHEMBL7977633 0.73 SMN1; SMN2 (0.56) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL8144828 0.72 HSD17B10 (0.66) HSD17B10POLBKMT2ARXFP1HPGD
SCHEMBL7975278 0.72 PDCD1 (0.33) HSD17B10ALDH1A1MAPK1KDM4EMAPT
SCHEMBL11544945 0.71 HSD17B10 (0.64) HSD17B10POLBKMT2ARXFP1HPGD

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed