SCHEMBL13199682

SCHEMBL13199682

O=C(O)c1ccccc1NCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 3/20 0.70
KDM4C Q9H3R0 3/20 0.70
ASPH Q12797 4/20 0.63
KDM8 Q8N371 4/20 0.63
KDM4E B2RXH2 3/20 0.63
RIOX2 Q8IUF8 2/20 0.63
EGLN1 Q9GZT9 1/20 0.63
PLK1 P53350 4/20 0.62
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 3/20 0.61
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
TRPA1 O75762 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL11499132 0.98 KDM6B (0.68) KDM6BKDM4CASPHKDM8KDM4E
SCHEMBL4897624 0.95 KDM6B (0.69) KDM6BKDM4CASPHKDM8KDM4E
Enfenamic Acid SCHEMBL25191 0.88 KDM6B (0.68) KDM6BKDM4CASPHKDM8KDM4E
SCHEMBL3514128 0.87 KDM6B (0.59) KDM6BKDM4CASPHKDM8KDM4E
Enfenamic Acid SCHEMBL10935569 0.87 KDM6B (0.66) KDM6BKDM4CASPHKDM8KDM4E
SCHEMBL15295175 0.83 KDM4C (1.00) KDM6BKDM4CASPHKDM8KDM4E
SCHEMBL8689214 0.82 ALDH1A1 (0.79) KDM6BKDM4CKDM4EPLK1ALDH1A1
SCHEMBL466141 0.82 PLK1 (0.63) KDM6BKDM4CKDM4EPLK1ALDH1A1
SCHEMBL5510920 0.82 ALDH1A1 (0.78) KDM6BKDM4CKDM4EPLK1ALDH1A1
SCHEMBL10697917 0.82 ALDH1A1 (0.63) KDM6BKDM4CASPHKDM8KDM4E

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
US-7772198-B2 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-08-10 US disclosed
US-7772198-B2 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-08-10 US disclosed