SCHEMBL4753468

SCHEMBL4753468

CCC(C)C(OC(=O)C(C)OC(=O)C(NC(=O)OCc1ccccc1)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CTSL P07711 4/20 0.45
CTSB P07858 3/20 0.45
CTSS P25774 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CTSK P43235 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.40
CASP3 P42574 2/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL8104698 0.94 CTSL (0.46) SYKCTSLCTSBCTSSMEN1
SCHEMBL4751711 0.91 SYK (0.41) SYKCTSLCTSBCTSSMEN1
SCHEMBL4753420 0.87 SYK (0.50) SYKCTSLCTSBCTSSMEN1
SCHEMBL4753471 0.85 SYK (0.44) SYKCTSLCTSBCTSSMEN1
SCHEMBL4751609 0.84 CTSL (0.41) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL4753917 0.83 SYK (0.40) SYKCTSLCTSBCTSSMEN1
SCHEMBL23392518 0.80 ATM (0.52) SYKCTSLCTSBCTSSMEN1
SCHEMBL17351827 0.80 ATM (0.52) SYKCTSLCTSBCTSSMEN1
SCHEMBL15936982 0.80 ATM (0.52) SYKCTSLCTSBCTSSMEN1
SCHEMBL23455705 0.79 ATM (0.53) SYKCTSLCTSBCTSSMEN1

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