SCHEMBL1233302

SCHEMBL1233302

CC(=O)OCC(C)COC(=O)c1cc2occc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.50
▸ POLB P06746 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ HPGD P15428 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MMP13 P45452 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL1233391 0.90 DAO (0.50) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL12864153 0.89 DAO (0.51) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL1171198 0.87 DAO (0.55) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL13495391 0.85 DAO (0.52) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL1171153 0.84 DAO (0.55) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL12864162 0.84 DAO (0.55) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL13319891 0.80 DAO (0.56) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL1171015 0.80 DAO (0.59) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL1171173 0.80 DAO (0.63) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL1171654 0.80 DAO (0.63) DAOPOLBGAAALDH1A1KDM4E

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-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO disclosed
WO-2010017418-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-11 — — WO disclosed
Send feedback