SCHEMBL7356998

SCHEMBL7356998

CC(C)(C)OC(=O)[C@H](CO)C(N)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 5/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 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
SCHEMBL6703239 0.85 AAK1 (0.40) LMNASMN1; SMN2KIF11
SCHEMBL7357002 0.75 TP53 (0.42) LMNAANPEPERAP2ALDH1A1NR1H4
SCHEMBL4969230 0.73 CES2 (0.37) ALDH1A1FFAR1AKR1C3AKR1C2
SCHEMBL8859907 0.73 TP53 (0.35) LMNAANPEPERAP2KIF11NR1H4
SCHEMBL16355708 0.73 TP53 (0.45) ANPEPERAP2KIF11NR1H4EPHX1
SCHEMBL20235896 0.73 TP53 (0.45) ANPEPERAP2KIF11NR1H4EPHX1
SCHEMBL28129784 0.72 NOS1 (0.36) LMNA
SCHEMBL8330084 0.72 AAK1 (0.39) LMNASMN1; SMN2ALDH1A1
SCHEMBL27773550 0.72 GABBR2 (0.42) SMN1; SMN2
SCHEMBL8330081 0.72 AAK1 (0.39) LMNASMN1; SMN2ALDH1A1

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-5338726-A Hypotensive agents, antiulcer agents ABBOTT LABORATORIES (US) 1994-08-16 US disclosed
EP-0569487-A4 1994-04-27 EP disclosed
EP-0569487-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1993-11-18 EP disclosed
WO-1992013545-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1992-08-20 WO disclosed