SCHEMBL6585426

SCHEMBL6585426

CCOC(=O)Oc1c[nH]nc1NC1CC(C)(c2ccc(-c3ccccc3)cc2)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.33
ATM Q13315 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 2/20 0.31
TARBP2 Q15633 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6152031 0.89 OPRM1 (0.32)
SCHEMBL6291829 0.86 JAK2 (0.40) HPGDSJAK2JAK3ALDH1A1HPGD
SCHEMBL6581698 0.81 ALDH1A1 (0.32) RAB9AALDH1A1HSD17B10ALOX5LMNA
SCHEMBL6579675 0.80 TYMS (0.32) ALDH1A1SMN1; SMN2
SCHEMBL6152574 0.75 SYK (0.35) JAK3LMNAKDM4E
SCHEMBL5776910 0.71 GSK3A (0.35) ALDH1A1HPGDHSD17B10KDM4EMMP1
SCHEMBL6153355 0.71
SCHEMBL6288883 0.71 SLC26A6 (0.37) RAB9AALDH1A1KDM4EGAAMAPT
SCHEMBL6152278 0.71 ALDH1A1 (0.45) JAK2JAK3RAB9AALDH1A1HPGD
SCHEMBL5777879 0.68 ALDH1A1 (0.39) RAB9AALDH1A1HPGDLMNAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 WO disclosed