SCHEMBL8735231

SCHEMBL8735231

CC(=CC(C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.56
CTSB P07858 4/20 0.56
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.54
CTSK P43235 3/20 0.52
CTRB1 P17538 2/20 0.51
PRTN3 P24158 2/20 0.51
CTSS P25774 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL937784 0.84 ATM (0.58) CTSLCTSBATMELANECTSK
SCHEMBL937783 0.84 ATM (0.58) CTSLCTSBATMELANECTSK
SCHEMBL24187715 0.84 ATM (0.58) CTSLCTSBATMELANECTSK
SCHEMBL937972 0.82 ATM (0.57) CTSLCTSBATMELANECTSK
SCHEMBL10403288 0.82 ATM (0.57) CTSLCTSBATMELANECTSK
SCHEMBL937973 0.82 ATM (0.57) CTSLCTSBATMELANECTSK
SCHEMBL11094221 0.82 ATM (0.62) CTSLCTSBATMELANECTSK
SCHEMBL17688547 0.80 ATM (0.61) CTSLCTSBATMELANECTSK
SCHEMBL6880679 0.80 ATM (0.61) CTSLCTSBATMELANECTSK
SCHEMBL308291 0.80 ATM (0.64) CTSLCTSBATMELANECTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714417-B1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LTD (GB) 1998-06-10 EP disclosed
EP-0714417-A1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LIMITED (GB) 1996-06-05 EP disclosed
WO-1995005408-A1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LIMITED (GB) 1995-02-23 WO disclosed