SCHEMBL7357002

SCHEMBL7357002

CC(C)(C)OC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)C(N)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ACACB O00763 2/20 0.39
REN P00797 6/20 0.39
EPHX1 P07099 1/20 0.39
COPS5 Q92905 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.37
NR4A2 P43354 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
RECQL P46063 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL6703242 0.85 SLC1A3 (0.49) MEN1KMT2A
SCHEMBL5016667 0.85 SLC1A3 (0.49) MEN1KMT2A
SCHEMBL16355708 0.84 TP53 (0.45) TP53TSHRANPEPERAP2ACACB
SCHEMBL20235896 0.84 TP53 (0.45) TP53TSHRANPEPERAP2ACACB
SCHEMBL10952481 0.76 ACACB (0.44) TP53TSHRANPEPERAP2ACACB
SCHEMBL7356998 0.75 LMNA (0.40) ANPEPERAP2EPHX1ALDH1A1LMNA
SCHEMBL6957067 0.73 ACACB (0.49) TP53TSHRANPEPERAP2ACACB
SCHEMBL5691937 0.73 ACACB (0.49) TP53TSHRANPEPERAP2ACACB
SCHEMBL10564272 0.72 GRB2 (0.49) EPHX2
SCHEMBL27608532 0.72 SLC1A3 (0.47) MEN1KMT2A

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