SCHEMBL8893949

SCHEMBL8893949

CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C(=O)CC(O)C(=O)OC(C)(C)C)[C@@H](C)CCCC(C)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
SYK P43405 1/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8714486 1.00 ABCB1 (0.38) ABCB1SYKCTSLCTSBCTSS
SCHEMBL8892974 0.92 ABCB1 (0.37) ABCB1SYKCTSLCTSBCTSS
SCHEMBL8707727 0.91 ABCB1 (0.41) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8894248 0.88 ALDH1A1 (0.32) SYKCTSKPOLBMEN1KMT2A
SCHEMBL9068144 0.87 ABCB1 (0.37) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8708607 0.87 ABCB1 (0.37) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8893220 0.84 ALDH1A1 (0.33) CTSLCTSBCTSSPOLBMEN1
SCHEMBL8893928 0.83 ABCB1 (0.40) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8896038 0.82 ALDH1A1 (0.34) CTSLCTSBCTSSPOLBMEN1
SCHEMBL14502788 0.77 SYK (0.43) ABCB1SYKCTSLCTSBCTSS

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-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed