SCHEMBL8910097

SCHEMBL8910097

O=[PH](OCc1cc(C(F)(F)F)no1)OCc1cc(C(F)(F)F)no1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8910100 0.87 MMP13 (0.32) MMP13KDM4EMEN1ALDH1A1HPGD
SCHEMBL8116548 0.71 CHRM1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL410525 0.71 NOTUM (0.43) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL411970 0.71 KDM4E (0.34) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL9892806 0.71 KDM4E (0.37) MMP13KDM4EMEN1ALDH1A1HPGD
SCHEMBL7982124 0.71 ALDH1A1 (0.34) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL410519 0.71 NOTUM (0.43) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL8124186 0.70 MEN1 (0.32) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL442084 0.69 NOTUM (0.42) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL17653870 0.69 AGBL2 (0.38) KDM4EMEN1ALDH1A1HPGDKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed