SCHEMBL7740696

SCHEMBL7740696

COc1ccc2c(c1)nc(Cl)n2[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
HPGD P15428 3/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ACACB O00763 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9387641 0.84 HDAC6 (0.35) ALDH1A1MAPTTDP1CA12CA9
SCHEMBL9419671 0.84 HDAC6 (0.35) ALDH1A1MAPTTDP1CA12CA9
SCHEMBL9419631 0.84 HDAC6 (0.35) ALDH1A1MAPTTDP1CA12CA9
SCHEMBL7740717 0.80 TDP1 (0.38) ALDH1A1SMN1; SMN2ACSS2PRKACARPS6KB1
SCHEMBL7734321 0.78 ADORA2B (0.35) ALDH1A1CYP3A4KDM4E
SCHEMBL7741960 0.78 ALDH1A1 (0.34) ALDH1A1MAPTTDP1CA12CA9
SCHEMBL7738765 0.75 ALDH1A1 (0.33) ALDH1A1MAPTTDP1
SCHEMBL8190628 0.73 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2CYP3A4MAPT
SCHEMBL7123962 0.73 SLC15A1 (0.43) ALDH1A1MAPTTDP1CA12CA9
SCHEMBL7209028 0.73 SLC15A1 (0.43) ALDH1A1MAPTTDP1CA12CA9

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-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed