SCHEMBL8583127

SCHEMBL8583127

COc1cc(=O)c2cc(C)c(C)cc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.48
GRIN3B O60391 3/20 0.48
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
GRIN2B Q13224 3/20 0.48
GRIN2C Q14957 3/20 0.48
GRIN3A Q8TCU5 3/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 6/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
GAA P10253 2/20 0.40
IMPDH2 P12268 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL7431309 0.76 CYP1A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7802847 0.76 LMNA (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9389924 0.76 HPGD (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9393341 0.76 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9389039 0.76 PARP1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7352458 0.75 DAO (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9724226 0.74 ALDH1A1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8578469 0.73 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8579990 0.73 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8582239 0.72 NQO2 (0.51) KDM4EALDH1A1HPGDMAPTGAA

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
US-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US disclosed
WO-1996015112-A1 AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION ACEA PHARMACEUTICALS, INC. (US) 1996-05-23 WO disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 US disclosed
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed