SCHEMBL7339153

SCHEMBL7339153

CC1CCN(C(=O)[C@H](CCC(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41
REN P00797 2/20 0.41
F2 P00734 4/20 0.34
PRSS1 P07477 2/20 0.33
F10 P00742 2/20 0.33
LMNA P02545 1/20 0.33
PLAT P00750 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
AGTR2 P50052 1/20 0.32

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
SCHEMBL7339144 1.00 ACE (0.41) ACERENF2PRSS1F10
SCHEMBL7335071 0.84 AGTR2 (0.42) ACELMNAAGTR2
SCHEMBL7330332 0.83 F2 (0.36) F2PRSS1F10LMNAPLAT
SCHEMBL7335961 0.80 BCL9 (0.38) LMNA
SCHEMBL8703107 0.72 F2 (0.38) F2PRSS1F10LMNAPLAT
SCHEMBL58503 0.72 HSD17B10 (0.50) LMNA
SCHEMBL9234487 0.72 HSD17B10 (0.50) LMNA
SCHEMBL58198 0.72 HSD17B10 (0.50) LMNA
SCHEMBL58523 0.72 HSD17B10 (0.50) LMNA
SCHEMBL12201950 0.72 HSD17B10 (0.50) LMNA

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-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed