SCHEMBL25100766

SCHEMBL25100766

CNC(Cc1ccc(O)c(O)c1)C(=O)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.52
▸ ALOX15 P16050 7/20 0.50
▸ HSD17B10 Q99714 7/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ ALOX12 P18054 5/20 0.50
▸ HIF1A Q16665 5/20 0.50
▸ HPGD P15428 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ RECQL P46063 4/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ TP53 P04637 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50

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
SCHEMBL23135185 0.87 LCK (0.51) LCKALOX15HSD17B10KDM4EALOX12
SCHEMBL5310702 0.87 LCK (0.67) LCKALOX15HSD17B10KDM4EALOX12
SCHEMBL21474955 0.86 LCK (0.50) LCKALOX15HSD17B10KDM4EALOX12
Hydrochloric Acid SCHEMBL21834067 0.85 LCK (0.65) LCKALOX15HSD17B10KDM4EALOX12
SCHEMBL14617725 0.84 LCK (0.53) LCKALOX15HSD17B10KDM4EALOX12
SCHEMBL21834064 0.84 LCK (0.53) LCKALOX15HSD17B10KDM4EALOX12
SCHEMBL25100765 0.84 ESR1 (0.49) MAPTESR1KMT2ASLC6A2MMP1
SCHEMBL25100999 0.82 NLRP3 (0.46) OPRK1CA1CA2CA12CA7
SCHEMBL25100998 0.82 LCK (0.51) LCKALOX15HSD17B10KDM4EALOX12
SCHEMBL13779409 0.81 LCK (0.51) LCKALOX15HSD17B10KDM4EALOX12

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-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 — — WO disclosed
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