SCHEMBL28044294

SCHEMBL28044294

O=C(O)CCCC1=NOC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RXRA P19793 3/20 0.38

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
SCHEMBL27935387 0.77
SCHEMBL28015855 0.73 MEN1 (0.33)
SCHEMBL27569634 0.73 MEN1 (0.36) ALDH1A1MAPT
SCHEMBL27935323 0.73
SCHEMBL135288 0.70 AKR1C1 (0.35) HDAC4HDAC9PTGDR2ALDH1A1CYP1A2
SCHEMBL28266582 0.70
SCHEMBL167559 0.68 AKR1C1 (0.33) HDAC4HDAC9PTGDR2
SCHEMBL24177247 0.68 OPRM1 (0.34) SMN1; SMN2MAPT
SCHEMBL28032637 0.68 FFAR1 (0.38) SMN1; SMN2PTGDR2ALDH1A1FFAR1
SCHEMBL9559375 0.67 SMN1; SMN2 (0.45) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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
CN-105120665-B Prothioconazoles are used to induce the purposes of host defense 拜耳作物科学股份公司 2017-06-09 CN disclosed
CN-105120665-A Use of prothioconazole to induce host defence responses BAYER CROPSCIENCE AG 2015-12-02 CN disclosed