SCHEMBL15080869

SCHEMBL15080869

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.61
CTSS P25774 5/20 0.61
CTSL P07711 4/20 0.61
CTSB P07858 2/20 0.61
ATM Q13315 1/20 0.61
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
CTRB1 P17538 2/20 0.57
ELANE P08246 1/20 0.57
CYP1A2 P05177 1/20 0.54

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
SCHEMBL30946598 1.00 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL7761881 0.94 CTSK (0.62) CTSKCTSSCTSLCTSBATM
SCHEMBL6897142 0.92 CTSK (0.54) CTSKCTSSCTSLCTSBATM
SCHEMBL2949040 0.92 CTSK (0.57) CTSKCTSSCTSLCTSBATM
SCHEMBL2949041 0.92 CTSK (0.57) CTSKCTSSCTSLCTSBATM
SCHEMBL23056471 0.92 MAPT (0.54) CTSKCTSSCTSLCTSBATM
SCHEMBL5075275 0.92 CTSK (0.60) CTSKCTSSCTSLCTSBATM
SCHEMBL939737 0.92 MAPT (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL5412160 0.92 MAPT (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL7674223 0.92 MAPT (0.61) CTSKCTSSCTSLCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047268-B 1-aza-5-gera-5-alkyl bicyclo [3.3.3] undecane compound, synthesis method and application 中国科学技术大学 2020-05-01 CN disclosed
US-8476011-B1 Construction and use of catalogued nucleic acid libraries that contain advantageously adjusted representations of defined components BP CORPORATION NORTH AMERICA INC. (US) 2013-07-02 US disclosed