SCHEMBL4753420

SCHEMBL4753420

CCC(C)C(OC(=O)C(C)OC(=O)C(NC(=O)OCc1ccccc1)C(C)O)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
CTSL P07711 5/20 0.49
CTSS P25774 4/20 0.49
CTSB P07858 4/20 0.49
CTSK P43235 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
CASP3 P42574 2/20 0.42
MME P08473 1/20 0.40
ECE1 P42892 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
SCHEMBL8104699 0.90 CTSL (0.53) CTSLCTSSCTSBCTSKMEN1
SCHEMBL4753468 0.87 SYK (0.46) SYKCTSLCTSSCTSBCTSK
SCHEMBL2679219 0.83 CTSL (0.62) SYKCTSLCTSSCTSBCTSK
SCHEMBL7286508 0.83 CTSL (0.62) SYKCTSLCTSSCTSBCTSK
SCHEMBL2679221 0.83 CTSL (0.62) SYKCTSLCTSSCTSBCTSK
SCHEMBL4751711 0.82 SYK (0.41) SYKCTSLCTSSCTSBCTSK
SCHEMBL4753917 0.81 SYK (0.40) SYKCTSLCTSSCTSBCTSK
SCHEMBL8104698 0.81 CTSL (0.46) SYKCTSLCTSSCTSBCTSK
SCHEMBL4751645 0.78 CTSK (0.47) CTSLCTSSCTSBCTSKMEN1
SCHEMBL8107196 0.78 CTSK (0.47) CTSLCTSSCTSBCTSKMEN1

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
WO-2008151306-A1 SYNTHESIS OF CYCLODEPSIPEPTIDE COMPOUNDS HAVING ANTINEOPLASTIC AND/OR ANTIMICROBIAL ACTIVITY ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-12-11 WO disclosed