SCHEMBL7189907

SCHEMBL7189907

CC(OC(N)=O)(c1ccccc1)c1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
KCNN4 O15554 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
KCNE1 P15382 1/20 0.33

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
SCHEMBL7542207 0.91 RBP4 (0.38) KMT2AMAPTALDH1A1CYP1A2MEN1
SCHEMBL7191761 0.90 PARP10 (0.34) KMT2AMAPTCYP2C19HIF1AALDH1A1
SCHEMBL7187706 0.85 KMT2A (0.36) KMT2AMAPTCYP2C19HIF1AALDH1A1
SCHEMBL1363532 0.82 MAPT (0.57) KMT2AMAPTCYP2C19HIF1AALDH1A1
SCHEMBL7183186 0.81 KMT2A (0.39) KMT2AMAPTCYP2C19HIF1AALDH1A1
SCHEMBL7195388 0.80 MAPT (0.44) KMT2AMAPTCYP2C19HIF1AALDH1A1
SCHEMBL7183172 0.79 MAPT (0.43) KMT2AMAPTCYP2C19HIF1AALDH1A1
SCHEMBL7194416 0.77 KMT2A (0.34) KMT2AMAPTCYP2C19HIF1AALDH1A1
SCHEMBL7197504 0.76 ALDH1A1 (0.38) KMT2AMAPTALDH1A1TDP1TSHR
SCHEMBL7189903 0.76 ALDH1A1 (0.35) ALDH1A1TDP1TSHRTRIM24TRIM33

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