SCHEMBL8711522

SCHEMBL8711522

C/C(=C/C(=O)O)CC(C)(C)N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
KDM1A O60341 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
RXRA P19793 4/20 0.32
RXRB P28702 3/20 0.31
RXRG P48443 3/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL4406894 1.00 KDM4E (0.42) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL4406903 1.00 KDM4E (0.42) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL291545 0.81 KDM4E (0.45) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL291544 0.81 KDM4E (0.45) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL15482581 0.74 KDM4E (0.43) KDM4EATMKDM1ATSHR
SCHEMBL28320129 0.71
Acrylic Acid SCHEMBL27474257 0.71 LMNA (0.43) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL46398 0.70
SCHEMBL5451500 0.70 KDM4E (0.33) KDM4EATMHMGCRCHRM1TBXA2R
SCHEMBL2429605 0.70 KDM4E (0.33) KDM4EATMHMGCRCHRM1TBXA2R

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-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP claimed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed