SCHEMBL7183186

SCHEMBL7183186

CC(C)(OC(N)=O)c1ccccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
TLR2 O60603 1/20 0.34
ERN1 O75460 1/20 0.34
TLR1 Q15399 1/20 0.34
TLR6 Q9Y2C9 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL29763577 0.84 MAPT (0.42) KMT2ALMNAMEN1BLMTDP1
SCHEMBL7189907 0.81 KMT2A (0.41) KMT2ALMNAMEN1THRBBLM
SCHEMBL7194416 0.81 KMT2A (0.34) KMT2ALMNAMEN1THRBBLM
SCHEMBL7191761 0.78 PARP10 (0.34) KMT2ALMNAMEN1THRBBLM
SCHEMBL7188397 0.78 PTGDR2 (0.33) KMT2ALMNAMEN1THRBBLM
SCHEMBL4287836 0.77 GABRA1 (0.37) KMT2ATDP1ALDH1A1TSHRHPGD
SCHEMBL7191113 0.77 TSHR (0.50) KMT2ALMNATHRBTDP1ALDH1A1
SCHEMBL12899710 0.77 LMNA (0.46) KMT2ALMNAMEN1THRBBLM
SCHEMBL7542207 0.76 RBP4 (0.38) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL19026475 0.76 MAPT (0.36) KMT2ALMNATDP1ALDH1A1TSHR

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed