SCHEMBL7188397

SCHEMBL7188397

CC(OC(N)=O)(Sc1ccccc1)c1ccccc1C=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
GAA P10253 1/20 0.30
MAOB P27338 1/20 0.30
ELANE P08246 1/20 0.30
PRTN3 P24158 1/20 0.30

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
SCHEMBL7196070 0.91 RBP4 (0.36) PTGDR2MAPTALDH1A1TSHR
SCHEMBL7190550 0.91 ALDH1A1 (0.34) KMT2AALDH1A1
SCHEMBL7195971 0.86 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL7194416 0.85 KMT2A (0.34) PTGDR2KMT2AMAPTLMNAMEN1
SCHEMBL7185556 0.82 TSHR (0.41) KMT2AMAPTLMNATDP1CYP2C19
SCHEMBL7195421 0.81 SIRT1 (0.36) KMT2AMAPTMEN1BLMTDP1
SCHEMBL7183186 0.78 KMT2A (0.39) PTGDR2KMT2AMAPTLMNAMEN1
SCHEMBL7183453 0.78 ALDH1A1 (0.35) KMT2AMAPTLMNAMEN1TDP1
SCHEMBL7190162 0.78 ALDH1A1 (0.34) TDP1ALDH1A1TSHRTRIM24TRIM33
SCHEMBL7189907 0.76 KMT2A (0.41) PTGDR2KMT2AMAPTLMNAMEN1

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