SCHEMBL8104699

SCHEMBL8104699

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.53
CTSB P07858 5/20 0.53
CTSS P25774 4/20 0.53
CTSK P43235 5/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
CASP3 P42574 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL4753420 0.90 SYK (0.50) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8104698 0.84 CTSL (0.46) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8107196 0.83 CTSK (0.47) CTSLCTSBCTSSCTSKMEN1
SCHEMBL4751645 0.83 CTSK (0.47) CTSLCTSBCTSSCTSKMEN1
SCHEMBL9782142 0.82 CTSL (0.68) CTSLCTSBCTSSCTSKMEN1
SCHEMBL15878934 0.82 CTSL (0.68) CTSLCTSBCTSSCTSKMEN1
SCHEMBL15889688 0.82 CTSL (0.68) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8105214 0.82 CTSL (0.68) CTSLCTSBCTSSCTSKMEN1
SCHEMBL15317910 0.82 CTSL (0.68) CTSLCTSBCTSSCTSKMEN1
SCHEMBL3732239 0.80 CTSL (0.64) CTSLCTSBCTSSCTSKMEN1

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