SCHEMBL9437488

SCHEMBL9437488

CC(C)CC(O)C(OC(=O)C(O)(CC(=O)O)CC(=O)O)C(N)CC1CCCCC1.[KH]

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.40
METAP2 P50579 4/20 0.35
METAP1 P53582 2/20 0.35
CTSK P43235 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 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
SCHEMBL7333758 1.00 REN (0.40) RENMETAP2METAP1CTSKLNPEP
SCHEMBL7339021 0.98 REN (0.40) RENMETAP2METAP1CTSKLNPEP
SCHEMBL7333234 0.87 REN (0.39) RENMETAP2METAP1CTSKLNPEP
SCHEMBL5709586 0.83 REN (0.44) RENMETAP2METAP1CTSKCTSL
Citric Acid SCHEMBL7333217 0.80 REN (0.43) RENMETAP2METAP1LNPEP
SCHEMBL7338827 0.77 REN (0.36) RENMETAP2METAP1
Citric Acid SCHEMBL9437491 0.77 REN (0.41) RENMETAP2METAP1
Citric Acid SCHEMBL7333760 0.77 REN (0.41) RENMETAP2METAP1
Citric Acid SCHEMBL7339025 0.77 REN (0.41) RENMETAP2METAP1
Citric Acid SCHEMBL7333742 0.74 REN (0.39) RENMETAP2METAP1LNPEP

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-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 US disclosed