SCHEMBL27674501

SCHEMBL27674501

C[CH]NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.58
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
GFER P55789 1/20 0.51
PREP P48147 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CTSK P43235 5/20 0.51
CTSL P07711 3/20 0.51
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
CTSS P25774 2/20 0.49
PRCP P42785 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL27280340 0.89 CTRB1 (0.60) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL24513611 0.89 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11167627 0.89 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL7106091 0.89 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11167632 0.89 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11450738 0.89 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL11781980 0.88 CTRB1 (0.63) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL24322559 0.87 CTRB1 (0.58) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL8055344 0.87 CTRB1 (0.62) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL7918687 0.86 CTRB1 (0.58) CTRB1NPSR1KMT2ATSHRL3MBTL1

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
CN-87101164-A PHOSPHINIC ACID DERIVATIVES 1988-06-29 CN disclosed