SCHEMBL13589337

SCHEMBL13589337

CC(=O)CCCCC(=O)Nc1ccc2c(CC(N)=O)cc(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GLA P06280 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.49
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA2 P00918 2/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ SLC18A1 P54219 1/20 0.45
▸ SLC18A2 Q05940 1/20 0.45

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
SCHEMBL13589338 0.99 KDM4E (0.54) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL13589339 0.85 CA12 (0.64) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL24832744 0.80 SLC18A1 (0.67) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL24710370 0.76 SMN1; SMN2 (0.56) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL13370590 0.75 KDM4E (0.77) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL18994935 0.75 KDM4E (0.80) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL24710368 0.74 ENPP2 (0.57) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL14527910 0.74 SLC18A1 (0.65) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12987557 0.74 KDM4E (0.78) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL29435303 0.74 KDM4E (0.78) KDM4EALDH1A1HPGDKMT2AMEN1

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-7629437-B2 Fluorogenic materials and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-08 — — US disclosed
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