SCHEMBL11435644

SCHEMBL11435644

CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.52
REN P00797 5/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PSMB9 P28065 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CTSK P43235 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 1/20 0.45
GFER P55789 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PLK1 P53350 1/20 0.44

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
SCHEMBL11435651 1.00 CTRB1 (0.52) CTRB1RENTSHRL3MBTL1PSMB9
SCHEMBL11587393 0.98 CTRB1 (0.53) CTRB1RENTSHRL3MBTL1PSMB9
SCHEMBL11434851 0.91 CTRB1 (0.60) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL11434855 0.91 CTRB1 (0.60) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL24513611 0.86 CTRB1 (0.64) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL7106091 0.86 CTRB1 (0.64) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL11167627 0.86 CTRB1 (0.64) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL11450738 0.86 CTRB1 (0.64) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL11167632 0.86 CTRB1 (0.64) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL11006653 0.86 POLB (0.45) PSMB9CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216209-A Tripeptide angiotensin converting enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1980-08-05 US disclosed