SCHEMBL8105214

SCHEMBL8105214

COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.68
CTSS P25774 4/20 0.68
TRPM8 Q7Z2W7 1/20 0.61
CTSK P43235 4/20 0.57
CTSB P07858 3/20 0.57
ATM Q13315 1/20 0.56
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
KYNU Q16719 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
MME P08473 2/20 0.52
ECE1 P42892 1/20 0.52

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
SCHEMBL15889688 1.00 CTSL (0.68) CTSLCTSSTRPM8CTSKCTSB
SCHEMBL9782142 1.00 CTSL (0.68) CTSLCTSSTRPM8CTSKCTSB
SCHEMBL15878934 1.00 CTSL (0.68) CTSLCTSSTRPM8CTSKCTSB
SCHEMBL15317910 1.00 CTSL (0.68) CTSLCTSSTRPM8CTSKCTSB
SCHEMBL20538251 0.93 CTSL (0.70) CTSLCTSSCTSKCTSBATM
SCHEMBL2678260 0.93 CTSL (0.70) CTSLCTSSCTSKCTSBATM
SCHEMBL2678259 0.93 CTSL (0.70) CTSLCTSSCTSKCTSBATM
SCHEMBL1491407 0.90 CTSL (0.70) CTSLCTSSTRPM8CTSKCTSB
SCHEMBL10663359 0.90 CTSL (0.70) CTSLCTSSTRPM8CTSKCTSB
SCHEMBL14561285 0.90 CTSL (0.70) CTSLCTSSTRPM8CTSKCTSB

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