SCHEMBL9833389

SCHEMBL9833389

COC(=O)C(N)[C@@H](O)[C@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KLK5 Q9Y337 2/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
LTA4H P09960 2/20 0.44
ATM Q13315 2/20 0.43
ANPEP P15144 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
SLC7A5 Q01650 1/20 0.41
PSEN1 P49768 1/20 0.40

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
SCHEMBL27613188 0.89 SLC1A3 (0.44) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL27765146 0.84 SLC1A3 (0.41) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL8486317 0.84 SLC1A3 (0.44) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL4669804 0.84 SLC1A3 (0.44) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL28295654 0.84 SLC1A3 (0.44) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL6703242 0.84 SLC1A3 (0.49) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL5016667 0.84 SLC1A3 (0.49) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL7415313 0.84 CTSS (0.48) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL7415317 0.84 CTSS (0.48) ITGA4ITGB7MEN1KMT2AKLK5
SCHEMBL27773551 0.82 SLC1A1 (0.64) ITGA4ITGB7MEN1KMT2ASLC1A3

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-5026642-A Process for the enzymatic production of ketones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-06-25 US disclosed