SCHEMBL9867342

SCHEMBL9867342

O=C(O)CCNC(=O)Cc1cccc(NC(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.59
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC3 O15379 1/20 0.54
ENPP2 Q13822 2/20 0.47
HPSE Q9Y251 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9335838 0.82 HPSE (0.56) HDAC1HDAC2HDAC3HPSEKMT2A
SCHEMBL9865584 0.82 NAMPT (0.60) NAMPTHDAC1HDAC2HDAC3NR1H4
SCHEMBL9865137 0.81 NAMPT (0.68) NAMPTHDAC1HDAC2HDAC3KMT2A
SCHEMBL9867345 0.75 NAMPT (0.52) NAMPTNR1H4HTT
SCHEMBL27373249 0.75 MGLL (0.60) ENPP2HTT
SCHEMBL996878 0.75 NAMPT (0.78) NAMPTHDAC1HDAC2HDAC3
SCHEMBL995725 0.74 NAMPT (1.00) NAMPTHDAC1HDAC2HDAC3
SCHEMBL7514786 0.72 HTT (0.73) HDAC1HDAC2HDAC3KMT2AHTT
SCHEMBL13418126 0.72 HTT (0.61) HDAC2KMT2AHTT
SCHEMBL127662 0.72 HTT (0.82) KMT2AHTT

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed