SCHEMBL4753471

SCHEMBL4753471

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CTSK P43235 2/20 0.41
ATM Q13315 1/20 0.39
CASP3 P42574 2/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 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
SCHEMBL4753468 0.85 SYK (0.46) SYKCTSLCTSSCTSBCYP3A4
SCHEMBL17351827 0.79 ATM (0.52) SYKCTSLCTSSCTSBMEN1
SCHEMBL23392518 0.79 ATM (0.52) SYKCTSLCTSSCTSBMEN1
SCHEMBL15936982 0.79 ATM (0.52) SYKCTSLCTSSCTSBMEN1
SCHEMBL8104698 0.79 CTSL (0.46) SYKCTSLCTSSCTSBCYP3A4
SCHEMBL23455705 0.78 ATM (0.53) SYKCTSLCTSSCTSBMEN1
SCHEMBL17352430 0.78 ATM (0.53) SYKCTSLCTSSCTSBMEN1
SCHEMBL23455707 0.78 ATM (0.53) SYKCTSLCTSSCTSBMEN1
SCHEMBL6487029 0.78 ATM (0.53) SYKCTSLCTSSCTSBMEN1
SCHEMBL4751711 0.76 SYK (0.41) SYKCTSLCTSSCTSBCYP3A4

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