SCHEMBL7183172

SCHEMBL7183172

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 4/20 0.37
KCNN4 O15554 3/20 0.37
HPGD P15428 3/20 0.37
HMGB1 P09429 2/20 0.37
NAPRT Q6XQN6 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL7187596 0.91 TDP1 (0.43) MAPTKMT2AF2PRSS1PRSS2
SCHEMBL1363532 0.85 MAPT (0.57) MAPTKMT2AALDH1A1ALOX15CYP2C19
SCHEMBL7184685 0.84 KDM4E (0.41) MAPTKMT2AALDH1A1CYP2C19HIF1A
SCHEMBL7195388 0.83 MAPT (0.44) MAPTKMT2AALDH1A1ALOX15CYP2C19
SCHEMBL7185639 0.82 ALDH1A1 (0.43) MAPTKMT2AALDH1A1ALOX15F2
SCHEMBL7189907 0.79 KMT2A (0.41) MAPTKMT2AALDH1A1ALOX15CYP2C19
SCHEMBL7185569 0.77 ALDH1A1 (0.38) MAPTKMT2AALDH1A1ALOX15F2
SCHEMBL3626290 0.77 KMT2A (0.48) MAPTKMT2AALDH1A1ALOX15CYP2C19
SCHEMBL7188579 0.75 KMT2A (0.40) MAPTKMT2AALDH1A1ALOX15CYP2C19
SCHEMBL7195421 0.75 SIRT1 (0.36) MAPTKMT2AALDH1A1ALOX15F2

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