SCHEMBL1713819

SCHEMBL1713819

O=C(Cc1ccccc1)N1CCN(Cc2cc(F)ccc2O)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
ALOX15 P16050 1/20 0.63
ALDH1A1 P00352 7/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
PKM P14618 1/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HPGD P15428 1/20 0.55
HSD11B1 P28845 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL1714940 0.85 KDM4E (0.80) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL28766926 0.85 ALDH1A1 (0.56) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL2931356 0.83 ALDH1A1 (0.50) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL13800284 0.82 PTGDR2 (0.77) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL9321429 0.82 ALDH1A1 (0.75) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL8377657 0.80 CYP2D6 (0.65) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL1714140 0.80 KDM4E (0.62) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL27852046 0.80 KDM4E (0.62) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL6681439 0.78 ALDH1A1 (0.83) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL1714246 0.77 KMT2A (0.55) KDM4EALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed