SCHEMBL15048946

SCHEMBL15048946

O=C(CCCc1ccccc1)NCC(O)CNC(=O)CCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.74
HDAC1 Q13547 3/20 0.62
HDAC3 O15379 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
LMNA P02545 3/20 0.61
PKM P14618 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
TRPV1 Q8NER1 1/20 0.59
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL26393855 0.92 HPGD (0.68) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL26393843 0.92 HPGD (0.68) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL15061775 0.88 HPGD (0.67) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL26393871 0.88 HPGD (0.62) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL28808203 0.85 HPGD (1.00) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL26296600 0.82 ASAH1 (0.62) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL13073412 0.81 HDAC3 (0.78) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL3435489 0.81 TRPV1 (0.84) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7201053 0.81 L3MBTL1 (0.89) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL7746417 0.80 HPGD (0.65) HPGDHDAC1HDAC3HDAC2HDAC8

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
EP-2607367-A1 Glycerol phenyl butyrate derivatives Lunamed AG (CH) 2013-06-26 EP disclosed
EP-2607367-A1 Glycerol phenyl butyrate derivatives Lunamed AG (CH) 2013-06-26 EP disclosed