SCHEMBL1233407

SCHEMBL1233407

CC(C)C(=O)OCCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.52
▸ POLB P06746 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL1171173 0.90 DAO (0.63) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1171700 0.90 DAO (0.52) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1233391 0.87 DAO (0.50) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1171097 0.87 DAO (0.52) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1232832 0.86 DAO (0.49) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1170986 0.85 DAO (0.56) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1171135 0.85 DAO (0.50) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1233498 0.84 DAO (0.52) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL1171198 0.84 DAO (0.55) DAOPOLBGAAKDM4EALDH1A1
SCHEMBL12864154 0.84 DAO (0.49) DAOPOLBGAAKDM4EALDH1A1

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