SCHEMBL9230291

SCHEMBL9230291

CC(C)(C)OC(=O)N1C[C@H](n2ccc(NC(=O)OCc3ccccc3)nc2=O)CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
RIN1 Q13671 2/20 0.41
RAB9A P51151 1/20 0.41
ABCB1 P08183 1/20 0.40
PARP1 P09874 1/20 0.39
P2RX3 P56373 1/20 0.39
AGTR2 P50052 1/20 0.37
SYK P43405 1/20 0.36
MAP3K5 Q99683 1/20 0.36
POLB P06746 1/20 0.36
SRC P12931 4/20 0.36

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
SCHEMBL9230297 0.89 ABL1 (0.40) ABL1RIN1RAB9AABCB1PARP1
SCHEMBL9230690 0.87 ABCB1 (0.40) ABL1RIN1RAB9AABCB1PARP1
SCHEMBL9230276 0.85 POLB (0.46) ABL1RIN1PARP1P2RX3POLB
SCHEMBL8304924 0.77 POLB (0.44) ABL1RIN1P2RX3POLBSRC
SCHEMBL8544305 0.77 RAB9A (0.51) ABL1RIN1RAB9AAGTR2SYK
SCHEMBL8544306 0.77 RAB9A (0.51) ABL1RIN1RAB9AAGTR2SYK
SCHEMBL7532354 0.75 POLB (0.42) ABL1RIN1PARP1P2RX3POLB
SCHEMBL29200855 0.75 ALDH1A1 (0.50) ABCB1AGTR2
SCHEMBL29200858 0.75 ALDH1A1 (0.50) ABCB1AGTR2
SCHEMBL1374899 0.75 ALDH1A1 (0.50) ABCB1AGTR2

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
EP-0646596-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed