SCHEMBL19944700

SCHEMBL19944700

O=C1OCOC[C@@H]2C3C=CC(CC3)[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KMT2A Q03164 2/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL23106949 0.86 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1KMT2ARECQL
SCHEMBL3781306 0.85 POLB (0.35) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL7663419 0.85 POLB (0.35) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL10485411 0.69 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1KMT2ARECQL
SCHEMBL7360243 0.69 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1KMT2ARECQL
SCHEMBL1218407 0.69 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1KMT2ARECQL
SCHEMBL13515251 0.68 KDM4E (0.35) TDP1
SCHEMBL10029224 0.65 TDP1 (0.48) ALDH1A1POLBL3MBTL1KMT2AAPEX1
SCHEMBL21117867 0.65 TDP1 (0.48) ALDH1A1POLBL3MBTL1KMT2AAPEX1
SCHEMBL351863 0.65 TDP1 (0.48) ALDH1A1POLBL3MBTL1KMT2AAPEX1

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
WO-2018041091-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-03-08 WO disclosed