SCHEMBL8893922

SCHEMBL8893922

CCC(C)[C@H](NC)C(=O)CC(O)(C(=O)O)C(=O)C(O)(CC(=O)C(C)(O)C(=O)[C@H](C)N(C)C(=O)OCc1ccccc1)C(=O)[C@@H](NC)C(C)CC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 4/20 0.36
ABCB1 P08183 2/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
CASP3 P42574 2/20 0.32
MME P08473 1/20 0.30
ECE1 P42892 1/20 0.30
HSP90AA1 P07900 2/20 0.30
HSP90AB1 P08238 2/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL8892968 0.93 MEN1 (0.36) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8707726 0.93 MEN1 (0.37) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8714483 0.87 MEN1 (0.35) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8893105 0.86 MEN1 (0.36) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8708604 0.83 MEN1 (0.33) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8893215 0.81 KMT2A (0.33) MEN1KMT2A
SCHEMBL8707602 0.80 CTSS (0.30) CTSSCTSK
SCHEMBL8893786 0.77
SCHEMBL8894271 0.77
SCHEMBL8894650 0.77

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