SCHEMBL7195152

SCHEMBL7195152

CC(OC(N)=O)(Sc1ccccc1)c1ccc(O)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
GAA P10253 4/20 0.34
MEN1 O00255 3/20 0.34
NFE2L2 Q16236 2/20 0.34
USP2 O75604 1/20 0.34
KEAP1 Q14145 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TYR P14679 3/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX5 P09917 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL7187579 0.92 CA2 (0.33) KMT2AGAAMEN1NFE2L2CA12
SCHEMBL7191785 0.89 MEN1 (0.36) KMT2AMEN1CA12CA1CA2
SCHEMBL7185556 0.86 TSHR (0.41) KMT2ACA12CA1CA2CA7
SCHEMBL7183240 0.85 ALDH5A1 (0.35) KMT2AMEN1ALDH1A1ALOX15HSD17B10
SCHEMBL7191156 0.84 ALDH1A1 (0.39) KMT2AMEN1NFE2L2CA2ALDH1A1
SCHEMBL7185638 0.77 KDM4E (0.38) KMT2AMEN1CA12CA1CA2
SCHEMBL7195421 0.77 SIRT1 (0.36) KMT2AMEN1CA12CA1CA2
SCHEMBL7188579 0.77 KMT2A (0.40) KMT2AGAAMEN1NFE2L2USP2
SCHEMBL7183121 0.75 POLB (0.37) KMT2AMEN1CA12CA1CA2
SCHEMBL7195971 0.75 ALDH1A1 (0.31) ALDH1A1CYP2C9TSHRNPC1RAB9A

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